Home Carboxys 1-cyano-2-methylcyclopropane-1-carboxylic acid

1-cyano-2-methylcyclopropane-1-carboxylic acid

CAS No.:
1564949-98-9
Catalog Number:
AG01C1JU
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
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Product Description
Catalog Number:
AG01C1JU
Chemical Name:
1-cyano-2-methylcyclopropane-1-carboxylic acid
CAS Number:
1564949-98-9
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD26868181
IUPAC Name:
1-cyano-2-methylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C6H7NO2/c1-4-2-6(4,3-7)5(8)9/h4H,2H2,1H3,(H,8,9)
InChI Key:
UPXVFPBFTSFMOJ-UHFFFAOYSA-N
SMILES:
CC1CC1(C#N)C(=O)O
Properties
Complexity:
202  
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:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties