Home Other Building Blocks 3-(DIMETHYLCARBAMOYL)PROP-2-YNOIC ACID

3-(DIMETHYLCARBAMOYL)PROP-2-YNOIC ACID

CAS No.:
1314937-25-1
Catalog Number:
AG01DV8W
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
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Product Description
Catalog Number:
AG01DV8W
Chemical Name:
3-(DIMETHYLCARBAMOYL)PROP-2-YNOIC ACID
CAS Number:
1314937-25-1
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD19231516
IUPAC Name:
4-(dimethylamino)-4-oxobut-2-ynoic acid
InChI:
InChI=1S/C6H7NO3/c1-7(2)5(8)3-4-6(9)10/h1-2H3,(H,9,10)
InChI Key:
SLWUNCBYKVARGK-UHFFFAOYSA-N
SMILES:
CN(C(=O)C#CC(=O)O)C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties