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159910-03-9 | 3-Cyclohexene-1-carboxylic acid, 3,4-dimethyl-, (1S)-
CAS No: 159910-03-9 Catalog No: AG001RJ6 MDL No:
Product Description
Catalog Number:
AG001RJ6
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 3,4-dimethyl-, (1S)-
CAS Number:
159910-03-9
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
(1S)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C9H14O2/c1-6-3-4-8(9(10)11)5-7(6)2/h8H,3-5H2,1-2H3,(H,10,11)/t8-/m0/s1
InChI Key:
RKHBXKQTJHREJG-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H]1CCC(=C(C1)C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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