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5708-19-0 | (S)-(-)-3-Cyclohexenecarboxylic acid
CAS No: 5708-19-0 Catalog No: AG0038MY MDL No:MFCD08275437
Product Description
Catalog Number:
AG0038MY
Chemical Name:
(S)-(-)-3-Cyclohexenecarboxylic acid
CAS Number:
5708-19-0
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD08275437
IUPAC Name:
(1S)-cyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)/t6-/m1/s1
InChI Key:
VUSWCWPCANWBFG-ZCFIWIBFSA-N
SMILES:
OC(=O)[C@H]1CCC=CC1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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