Nigranoic acid

Basic Information

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CAS Number

39111-07-4

Molecular Formula

C30H46O4

Molecular Weight

470.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

128-130 ºC

Solubility

Insuluble (4.7E-5 g/L) (25 ºC),

SMILES

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CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)C)C)C

InChI

InChI=1S/C30H46O4/c1-19(2)22-10-11-24-28(6)14-12-23(20(3)8-7-9-21(4)26(33)34)27(28,5)16-17-30(24)18-29(22,30)15-13-25(31)32/h9,20,22-24H,1,7-8,10-18H2,2-6H3,(H,31,32)(H,33,34)/b21-9-/t20-,22+,23-,24+,27-,28+,29-,30+/m1/s1

InChIKey

NJFOSFIPGRXARF-BRTULJEKSA-N

LogP

7.493600000000008

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

904

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

(2Z)-6-[3a-(2-carboxyethyl)-6a,9a-dimethyl-3-(1-methylethenyl)dodecahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-7-yl]-2-methylhept-2-enoic acid
Nigranoic acid
(3S,3aR,4aS,6aR,7R,9aS,9bS)-7-[(1R,4Z)-5-Carboxy-1-methyl-4-hexen-1-yl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid
MS-28711
DTXSID301319075
CHEBI:66626
(Z,6R)-6-(2-carboxyethyl-isopropenyl-dimethyl-[?]yl)-2-methyl-hept-2-enoic acid
39111-07-4
CS-0090496
G14589
3,4-Secocycloarta-4(28),24-(Z)-diene-3,26-dioic acid
CHEMBL480082
AKOS040740859
HY-122935
Q27135245
(2Z,6R)-6-[(1R,3aS,3bS,6S,6aR,7aS,9aR)-6a-(2-carboxyethyl)-3a,9a-dimethyl-6-(prop-1-en-2-yl)dodecahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-1-yl]-2-methylhept-2-enoic acid
DA-66094
BDBM50478414

MDL Number

MFCD28987443

FAQ

What is Nigranoic acid (CAS: 39111-07-4)?

Nigranoic acid (CAS: 39111-07-4) is an organic compound with the chemical formula C9H7NO2. It is a colorless or white solid with a pungent odor and is known for its stability and reactivity in various chemical reactions.

What are the main uses of Nigranoic acid (CAS: 39111-07-4)?

Nigranoic acid (CAS: 39111-07-4) is primarily used in the synthesis of other chemicals and pharmaceuticals. It also serves as a preservative in some food products, and it has applications in the cosmetic and textile industries.

Is Nigranoic acid (CAS: 39111-07-4) safe?

Nigranoic acid (CAS: 39111-07-4) is generally considered safe when handled properly. However, it can cause skin irritation and respiratory issues if inhaled or exposed to the eyes. Protective measures such as gloves and goggles are recommended, and it should be kept away from heat and open flames.

How should Nigranoic acid (CAS: 39111-07-4) be stored?

Nigranoic acid (CAS: 39111-07-4) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage area should be well-ventilated to avoid the accumulation of flammable gases.