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773870-02-3 | 3-Cyclohexene-1-carboxylicacid, 3,5-dimethyl-
CAS No: 773870-02-3 Catalog No: AG005BKQ MDL No:MFCD06203291
Product Description
Catalog Number:
AG005BKQ
Chemical Name:
3-Cyclohexene-1-carboxylicacid, 3,5-dimethyl-
CAS Number:
773870-02-3
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD06203291
IUPAC Name:
3,5-dimethylcyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C9H14O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3,6,8H,4-5H2,1-2H3,(H,10,11)
InChI Key:
JNFCNFSDEGSSIJ-UHFFFAOYSA-N
SMILES:
CC1C=C(C)CC(C1)C(=O)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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