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18335-62-1 | Cyclopentanecarboxylic acid, 2-methyl-, (1R,2S)-rel-
CAS No: 18335-62-1 Catalog No: AG0027IX MDL No:
Product Description
Catalog Number:
AG0027IX
Chemical Name:
Cyclopentanecarboxylic acid, 2-methyl-, (1R,2S)-rel-
CAS Number:
18335-62-1
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
(1R,2S)-2-methylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C7H12O2/c1-5-3-2-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m0/s1
InChI Key:
YDUMDNFZGQAOJB-NTSWFWBYSA-N
SMILES:
C[C@H]1CCC[C@H]1C(=O)O
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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