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137779-98-7 | 2-Cyclohexene-1-carboxylic acid, 2-acetyl-1-methyl-, (R)- (9CI)
CAS No: 137779-98-7 Catalog No: AG0013TT MDL No:
Product Description
Catalog Number:
AG0013TT
Chemical Name:
2-Cyclohexene-1-carboxylic acid, 2-acetyl-1-methyl-, (R)- (9CI)
CAS Number:
137779-98-7
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
2-acetyl-1-methylcyclohex-2-ene-1-carboxylic acid
InChI:
InChI=1S/C10H14O3/c1-7(11)8-5-3-4-6-10(8,2)9(12)13/h5H,3-4,6H2,1-2H3,(H,12,13)
InChI Key:
LMWAZWNSVVEVOI-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CCCC[C@@]1(C)C(=O)O
Properties
Complexity:
278
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:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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