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13949-95-6 | Cyclopropanecarboxylic acid, 2-acetyl-, ethyl ester, (1R,2R)-rel-
CAS No: 13949-95-6 Catalog No: AG001B4U MDL No:
Product Description
Catalog Number:
AG001B4U
Chemical Name:
Cyclopropanecarboxylic acid, 2-acetyl-, ethyl ester, (1R,2R)-rel-
CAS Number:
13949-95-6
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
ethyl (1R,2R)-2-acetylcyclopropane-1-carboxylate
InChI:
InChI=1S/C8H12O3/c1-3-11-8(10)7-4-6(7)5(2)9/h6-7H,3-4H2,1-2H3/t6-,7+/m0/s1
InChI Key:
JWHOQERPMUIEOY-NKWVEPMBSA-N
SMILES:
CCOC(=O)[C@@H]1C[C@H]1C(=O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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