Cas no 51077-51-1 (Retinoic acid,7,8-dihydro-, methyl ester, 13-cis- (9CI))
51077-51-1 structure
Product Name:Retinoic acid,7,8-dihydro-, methyl ester, 13-cis- (9CI)
CAS No:51077-51-1
MF:C21H32O2
MW:316.477586746216
CID:371844
PubChem ID:6441667
Update Time:2025-04-19
Retinoic acid,7,8-dihydro-, methyl ester, 13-cis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Retinoic acid,7,8-dihydro-, methyl ester, 13-cis- (9CI)
- methyl (2Z,4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienoate
- methyl 7,8-dihydroretinoate
- 51077-51-1
- Retinoic acid, 7,8-dihydro-, methyl ester, 13-cis-
- 13-cis-7,8-Dihydroretinoic acid methyl ester
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- Inchi： 1S/C21H32O2/c1-16(9-7-10-17(2)15-20(22)23-6)12-13-19-18(3)11-8-14-21(19,4)5/h7,9-10,15H,8,11-14H2,1-6H3/b10-7+,16-9+,17-15-
- InChI Key： OAURFXFNOLEVQH-IAEFYPGOSA-N
- SMILES： O(C)C(/C=C(/C)\C=C\C=C(/C)\CCC1=C(C)CCCC1(C)C)=O
Computed Properties
- Exact Mass: 316.240230259g/mol
- Monoisotopic Mass: 316.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 542
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 6.2
- Topological Polar Surface Area: 26.3?2
Retinoic acid,7,8-dihydro-, methyl ester, 13-cis- (9CI) Related Literature
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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