Cas no 103810-85-1 (Retinoic acid,4-(acetylamino)phenyl ester (9CI))
103810-85-1 structure
Product Name:Retinoic acid,4-(acetylamino)phenyl ester (9CI)
CAS No:103810-85-1
MF:C28H35NO3
MW:433.582408189774
CID:149690
PubChem ID:6438977
Update Time:2025-04-19
Retinoic acid,4-(acetylamino)phenyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Retinoic acid,4-(acetylamino)phenyl ester (9CI)
- (4-acetamidophenyl) (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
- 4-(acetylamino)phenylretinoate
- 4-acetamidophenyl all-trans-retinoate
- 4-Acetamidophenyl Retinoate
- 103810-85-1
-
- Inchi： 1S/C28H35NO3/c1-20(12-17-26-22(3)11-8-18-28(26,5)6)9-7-10-21(2)19-27(31)32-25-15-13-24(14-16-25)29-23(4)30/h7,9-10,12-17,19H,8,11,18H2,1-6H3,(H,29,30)/b10-7+,17-12+,20-9-,21-19-
- InChI Key： LQBHPDDJEMOJQA-GLKGMVBCSA-N
- SMILES： O(C1C=CC(=CC=1)NC(C)=O)C(/C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C)=O
Computed Properties
- Exact Mass: 432.25400
- Monoisotopic Mass: 433.261694
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 32
- Rotatable Bond Count: 8
- Complexity: 831
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 4
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.4
- Topological Polar Surface Area: 55.4
Experimental Properties
- Density: 1.08
- Boiling Point: 623.9°Cat760mmHg
- Flash Point: 331.1°C
- Refractive Index: 1.585
- PSA: 69.23000
- LogP: 5.30080
Retinoic acid,4-(acetylamino)phenyl ester (9CI) Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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