O~15~-{4-[(Butyryloxy)methyl]phenyl}retinoic acid | CAS No. 1037543-26-2

O~15~-{4-[(Butyryloxy)methyl]phenyl}retinoic acid

Basic Information

CAS Number

1037543-26-2

Molecular Formula

C31H40O4

Molecular Weight

476.65 g/mol

AD

Basic Physical Properties

CCCC(=O)OCc1ccc(cc1)OC(=O)/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C

InChI

InChI=1S/C31H40O4/c1-7-10-29(32)34-22-26-15-17-27(18-16-26)35-30(33)21-24(3)12-8-11-23(2)14-19-28-25(4)13-9-20-31(28,5)6/h8,11-12,14-19,21H,7,9-10,13,20,22H2,1-6H3/b12-8+,19-14+,23-11+,24-21+

InChIKey

GDELUZOQMHQHNF-PFLGVXPYSA-N

LogP

7.966900000000008

Topological Polar Surface Area

52.6 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

874

Synonyms & References

English

  • retinoic acid, 4-[(1-oxobutoxy)methyl]phenyl ester
  • [4-(butanoyloxymethyl)phenyl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

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