Home Other Building Blocks 4-(1-cyanocyclopropyl)benzoic acid

4-(1-cyanocyclopropyl)benzoic acid

CAS No.:
915020-91-6
Catalog Number:
AG01A4T8
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
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Product Description
Catalog Number:
AG01A4T8
Chemical Name:
4-(1-cyanocyclopropyl)benzoic acid
CAS Number:
915020-91-6
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD19439642
IUPAC Name:
4-(1-cyanocyclopropyl)benzoic acid
InChI:
InChI=1S/C11H9NO2/c12-7-11(5-6-11)9-3-1-8(2-4-9)10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key:
PHSAWENOVYZOLS-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)c1ccc(cc1)C(=O)O
Properties
Complexity:
290  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties