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13070-53-6 | 2-Butenoic acid, 3-(ethylamino)-, ethyl ester
CAS No: 13070-53-6 Catalog No: AG000UU3 MDL No:
Product Description
Catalog Number:
AG000UU3
Chemical Name:
2-Butenoic acid, 3-(ethylamino)-, ethyl ester
CAS Number:
13070-53-6
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
ethyl (E)-3-(ethylamino)but-2-enoate
InChI:
InChI=1S/C8H15NO2/c1-4-9-7(3)6-8(10)11-5-2/h6,9H,4-5H2,1-3H3/b7-6+
InChI Key:
MRDCWMLXFWVCIR-VOTSOKGWSA-N
SMILES:
CCNC(=CC(=O)OCC)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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