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115401-39-3 | 1-Cyclohexene-1-carboxylic acid, 6-(acetyloxy)-, ethyl ester
CAS No: 115401-39-3 Catalog No: AG000FYA MDL No:
Product Description
Catalog Number:
AG000FYA
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 6-(acetyloxy)-, ethyl ester
CAS Number:
115401-39-3
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
IUPAC Name:
ethyl 6-acetyloxycyclohexene-1-carboxylate
InChI:
InChI=1S/C11H16O4/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12/h6,10H,3-5,7H2,1-2H3
InChI Key:
MGDVNYVXDFPUPZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CCCCC1OC(=O)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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