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307532-23-6 | 1,3-Cyclohexadiene-1-carboxylic acid, 4,6-dimethyl-
CAS No: 307532-23-6 Catalog No: AG00316C MDL No:
Product Description
Catalog Number:
AG00316C
Chemical Name:
1,3-Cyclohexadiene-1-carboxylic acid, 4,6-dimethyl-
CAS Number:
307532-23-6
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
4,6-dimethylcyclohexa-1,3-diene-1-carboxylic acid
InChI:
InChI=1S/C9H12O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-4,7H,5H2,1-2H3,(H,10,11)
InChI Key:
RPXPXXDXCGFXPA-UHFFFAOYSA-N
SMILES:
CC1CC(=CC=C1C(=O)O)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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