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138522-03-9 | 3-Butenoic acid, 3-(aminocarbonyl)-2-methylene-
CAS No: 138522-03-9 Catalog No: AG0019DQ MDL No:
Product Description
Catalog Number:
AG0019DQ
Chemical Name:
3-Butenoic acid, 3-(aminocarbonyl)-2-methylene-
CAS Number:
138522-03-9
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
IUPAC Name:
3-carbamoyl-2-methylidenebut-3-enoic acid
InChI:
InChI=1S/C6H7NO3/c1-3(5(7)8)4(2)6(9)10/h1-2H2,(H2,7,8)(H,9,10)
InChI Key:
JSXRVDKXGUUAPR-UHFFFAOYSA-N
SMILES:
NC(=O)C(=C)C(=C)C(=O)O
Properties
Complexity:
217
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:
2
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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