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1601-81-6 | Cyclopropanecarboxylic acid, 2-benzoyl-, cis- (8CI,9CI)
CAS No: 1601-81-6 Catalog No: AG001ROP MDL No:MFCD01546436
Product Description
Catalog Number:
AG001ROP
Chemical Name:
Cyclopropanecarboxylic acid, 2-benzoyl-, cis- (8CI,9CI)
CAS Number:
1601-81-6
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD01546436
IUPAC Name:
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)
InChI Key:
LKZSGYYDOQYLNR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)[C@H]1C[C@H]1C(=O)O
NSC Number:
167088
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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