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1601-82-7 | Cyclopropanecarboxylic acid, 2-benzoyl-, (1R,2R)-rel-
CAS No: 1601-82-7 Catalog No: AG001ROO MDL No:MFCD28398039
Product Description
Catalog Number:
AG001ROO
Chemical Name:
Cyclopropanecarboxylic acid, 2-benzoyl-, (1R,2R)-rel-
CAS Number:
1601-82-7
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD28398039
IUPAC Name:
(1R,2R)-2-benzoylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H10O3/c12-10(7-4-2-1-3-5-7)8-6-9(8)11(13)14/h1-5,8-9H,6H2,(H,13,14)/t8-,9-/m1/s1
InChI Key:
LKZSGYYDOQYLNR-RKDXNWHRSA-N
SMILES:
O=C(c1ccccc1)[C@@H]1C[C@H]1C(=O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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