Cas no 104182-10-7 (Retinoic acid,3,3-dimethyl- (9CI))
104182-10-7 structure
Product Name:Retinoic acid,3,3-dimethyl- (9CI)
CAS No:104182-10-7
MF:C22H32O2
MW:328.488286972046
CID:215894
PubChem ID:165359026
Update Time:2025-04-19
Retinoic acid,3,3-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Retinoic acid,3,3-dimethyl- (9CI)
- SRI 5631-2
- 104182-10-7
- DTXSID501308696
- Retinoic acid, 3,3-dimethyl-
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- Inchi： 1S/C22H32O2/c1-16(9-8-10-17(2)13-20(23)24)11-12-19-18(3)14-21(4,5)15-22(19,6)7/h8-13H,14-15H2,1-7H3,(H,23,24)/b10-8+,12-11+,16-9+,17-13+
- InChI Key： YEARAFLBUPPKEI-JQVQEMKWSA-N
- SMILES： OC(/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(C)(C)CC1(C)C)=O
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 328.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 635
- 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: 6.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 52.54
Retinoic acid,3,3-dimethyl- (9CI) Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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