Home Other Building Blocks 2-Cyano-3-methyl-2-butenoic acid

2-Cyano-3-methyl-2-butenoic acid

CAS No.:
759-21-7
Catalog Number:
AG003H40
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥95%
In Stock USA
United States
$228
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Product Description
Catalog Number:
AG003H40
Chemical Name:
2-Cyano-3-methyl-2-butenoic acid
CAS Number:
759-21-7
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD00192788
IUPAC Name:
2-cyano-3-methylbut-2-enoic acid
InChI:
InChI=1S/C6H7NO2/c1-4(2)5(3-7)6(8)9/h1-2H3,(H,8,9)
InChI Key:
IMCBZLGYAYZSAM-UHFFFAOYSA-N
SMILES:
N#CC(=C(C)C)C(=O)O
NSC Number:
98287
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties