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28815-33-0 | 2-Cyclohexene-1-carboxylic acid, 2,6,6-triMethyl-4-oxo-
CAS No: 28815-33-0 Catalog No: AG002WM2 MDL No:
Product Description
Catalog Number:
AG002WM2
Chemical Name:
2-Cyclohexene-1-carboxylic acid, 2,6,6-triMethyl-4-oxo-
CAS Number:
28815-33-0
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
2,6,6-trimethyl-4-oxocyclohex-2-ene-1-carboxylic acid
InChI:
InChI=1S/C10H14O3/c1-6-4-7(11)5-10(2,3)8(6)9(12)13/h4,8H,5H2,1-3H3,(H,12,13)
InChI Key:
XVIVWEBLHSWKRQ-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)C(C(C1)(C)C)C(=O)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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