Home Carboxys Cyclopropanecarboxylic acid, 2-(phenylmethyl)-

Cyclopropanecarboxylic acid, 2-(phenylmethyl)-

CAS No.:
103986-55-6
Catalog Number:
AG007WUZ
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
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Product Description
Catalog Number:
AG007WUZ
Chemical Name:
Cyclopropanecarboxylic acid, 2-(phenylmethyl)-
CAS Number:
103986-55-6
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD16744627
IUPAC Name:
2-benzylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H12O2/c12-11(13)10-7-9(10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChI Key:
NHRRSNXEZMRFKC-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC1Cc1ccccc1
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties