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144084-07-1 | 3-Cyclohexene-1-carboxylic acid, 5-acetyl-, methyl ester, trans- (9CI)
CAS No: 144084-07-1 Catalog No: AG001IVQ MDL No:
Product Description
Catalog Number:
AG001IVQ
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 5-acetyl-, methyl ester, trans- (9CI)
CAS Number:
144084-07-1
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
methyl 5-acetylcyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C10H14O3/c1-7(11)8-4-3-5-9(6-8)10(12)13-2/h3-4,8-9H,5-6H2,1-2H3
InChI Key:
NUQAUENTHJMUQK-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1CC=C[C@H](C1)C(=O)C
Properties
Complexity:
243
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:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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