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180908-13-8 | Cyclohexanecarboxylic acid, 2-ethenyl-, trans- (9CI)
CAS No: 180908-13-8 Catalog No: AG0022GW MDL No:
Product Description
Catalog Number:
AG0022GW
Chemical Name:
Cyclohexanecarboxylic acid, 2-ethenyl-, trans- (9CI)
CAS Number:
180908-13-8
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
(1R,2S)-2-ethenylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H14O2/c1-2-7-5-3-4-6-8(7)9(10)11/h2,7-8H,1,3-6H2,(H,10,11)/t7-,8-/m1/s1
InChI Key:
YCRVZAXGQMICFJ-HTQZYQBOSA-N
SMILES:
C=C[C@@H]1CCCC[C@H]1C(=O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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