5-{(Z)-(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl}-2-hydroxy-3-methylbenzoic acid | CAS No. 7452-51-9

5-{(Z)-(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl}-2-hydroxy-3-methylbenzoic acid

Basic Information

CAS Number

7452-51-9

Molecular Formula

C27H27NO6

Molecular Weight

461.51 g/mol

AD

Basic Physical Properties

Boiling Point

695.4°C at 760 mmHg

Density

1.317

Flash Point

374.4°C

Refractive Index

1.656

CCN(CC)C1=CC=C(C=C1)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=CC(=C(C(=C3)C)O)C(=O)O

InChI

InChI=1S/C27H27NO6/c1-5-28(6-2)20-9-7-17(8-10-20)23(18-11-15(3)24(29)21(13-18)26(31)32)19-12-16(4)25(30)22(14-19)27(33)34/h7-14,29H,5-6H2,1-4H3,(H,31,32)(H,33,34)/b23-19-

InChIKey

MHXLUBGHVIPIGK-NMWGTECJSA-N

LogP

4.586920000000004

Topological Polar Surface Area

115.14000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

904

Synonyms & References

English

  • 5-[(3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
  • 7452-51-9
  • NS00021343
  • 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-3-methylsalicylic acid
  • 5-{(Z)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)[4-(diethylamino)phenyl]methyl}-2-hydroxy-3-methylbenzoic acid
  • MORDANT VIOLET 1

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