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130422-89-8 | 3-Cyclohexene-1-carboxylic acid, 5-methyl-
CAS No: 130422-89-8 Catalog No: AG000UEU MDL No:
Product Description
Catalog Number:
AG000UEU
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 5-methyl-
CAS Number:
130422-89-8
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
5-methylcyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C8H12O2/c1-6-3-2-4-7(5-6)8(9)10/h2-3,6-7H,4-5H2,1H3,(H,9,10)
InChI Key:
HKCPDPSBVNMCBM-UHFFFAOYSA-N
SMILES:
CC1CC(CC=C1)C(=O)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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