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124703-69-1 | 2-Propenoic acid, 3-amino-, methyl ester
CAS No: 124703-69-1 Catalog No: AG000MNS MDL No:
Product Description
Catalog Number:
AG000MNS
Chemical Name:
2-Propenoic acid, 3-amino-, methyl ester
CAS Number:
124703-69-1
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
IUPAC Name:
methyl (E)-3-aminoprop-2-enoate
InChI:
InChI=1S/C4H7NO2/c1-7-4(6)2-3-5/h2-3H,5H2,1H3/b3-2+
InChI Key:
YHNZLOOOVQYYCP-NSCUHMNNSA-N
SMILES:
COC(=O)C=CN
Properties
Complexity:
87.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
101.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
101.105g/mol
Monoisotopic Mass:
101.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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