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14369-90-5 | 2-Butenoic acid, 3-amino-2-methyl-, ethyl ester
CAS No: 14369-90-5 Catalog No: AG001I6T MDL No:
Product Description
Catalog Number:
AG001I6T
Chemical Name:
2-Butenoic acid, 3-amino-2-methyl-, ethyl ester
CAS Number:
14369-90-5
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
IUPAC Name:
ethyl 3-amino-2-methylbut-2-enoate
InChI:
InChI=1S/C7H13NO2/c1-4-10-7(9)5(2)6(3)8/h4,8H2,1-3H3
InChI Key:
AHHWYDQKFSHGNI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(N)C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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