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75110-90-6 | Cyclopropanecarboxylic acid, 1-cyano-2-phenyl-
CAS No: 75110-90-6 Catalog No: AG0056LK MDL No:
Product Description
Catalog Number:
AG0056LK
Chemical Name:
Cyclopropanecarboxylic acid, 1-cyano-2-phenyl-
CAS Number:
75110-90-6
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
IUPAC Name:
1-cyano-2-phenylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H9NO2/c12-7-11(10(13)14)6-9(11)8-4-2-1-3-5-8/h1-5,9H,6H2,(H,13,14)
InChI Key:
QUOJFFORSSTHEP-UHFFFAOYSA-N
SMILES:
N#CC1(CC1c1ccccc1)C(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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