Cas no 512-77-6 (Cyclopentanecarboxylicacid, 1-methyl-3-(1-methylethyl)-, (1R,3S)-rel-)
512-77-6 structure
Product Name:Cyclopentanecarboxylicacid, 1-methyl-3-(1-methylethyl)-, (1R,3S)-rel-
Cyclopentanecarboxylicacid, 1-methyl-3-(1-methylethyl)-, (1R,3S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarboxylicacid, 1-methyl-3-(1-methylethyl)-, (1R,3S)-rel-
- (1R,3S)-1-methyl-3-propan-2-ylcyclopentane-1-carboxylic acid
- 1-methyl-3-isopropylcyclopentanecarboxylic acid
- Cyclopentanecarboxylic acid, 3-isopropyl-1-methyl-, cis-
- Fencholic acid
- 1-Methyl-3-(propan-2-yl)cyclopentane-1-carboxylic acid
- NSC 8973
- NSC8973
- DTXSID60965469
- Cyclopentanecarboxylic acid, 1-methyl-3-(1-methylethyl)-, cis-
- Cyclopentanecarboxylic acid, 1-methyl-3-(1-methylethyl)-, (1R,3S)-
- (1R,3S)-3-Isopropyl-1-methylcyclopentanecarboxylic acid
- Cyclopentanecarboxylic acid, cis-
- 512-77-6
- SCHEMBL3191376
- NSC-8973
- IBDVYGIGYPWWBX-WCBMZHEXSA-N
- Cyclopentanecarboxylic acid, 1-methyl-3-(1-methylethyl)-, (1R,3S)-rel-
- (1R,3S)-3-isopropyl-1-methyl-cyclopentanecarboxylic acid
-
- Inchi： 1S/C10H18O2/c1-7(2)8-4-5-10(3,6-8)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/t8-,10+/m0/s1
- InChI Key： IBDVYGIGYPWWBX-WCBMZHEXSA-N
- SMILES： OC([C@]1(C)CC[C@H](C(C)C)C1)=O
Computed Properties
- Exact Mass: 170.13074
- Monoisotopic Mass: 170.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.992
- Boiling Point: 257°Cat760mmHg
- Flash Point: 124.1°C
- Refractive Index: 1.467
- PSA: 37.3
- LogP: 2.53340
Cyclopentanecarboxylicacid, 1-methyl-3-(1-methylethyl)-, (1R,3S)-rel- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
512-77-6 (Cyclopentanecarboxylicacid, 1-methyl-3-(1-methylethyl)-, (1R,3S)-rel-) Related Products
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