Home Other Building Blocks 2-(1-cyanocyclopropyl)acetic acid

2-(1-cyanocyclopropyl)acetic acid

CAS No.:
1803588-23-9
Catalog Number:
AG01AEYS
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
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Product Description
Catalog Number:
AG01AEYS
Chemical Name:
2-(1-cyanocyclopropyl)acetic acid
CAS Number:
1803588-23-9
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD28012149
IUPAC Name:
2-(1-cyanocyclopropyl)acetic acid
InChI:
InChI=1S/C6H7NO2/c7-4-6(1-2-6)3-5(8)9/h1-3H2,(H,8,9)
InChI Key:
NOZDYYIGNWYVNI-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)CC(=O)O
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties