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17469-21-5 | 2-Butenoic acid, 3-(dimethylamino)-, ethyl ester, (2E)-
CAS No: 17469-21-5 Catalog No: AG001ZVR MDL No:
Product Description
Catalog Number:
AG001ZVR
Chemical Name:
2-Butenoic acid, 3-(dimethylamino)-, ethyl ester, (2E)-
CAS Number:
17469-21-5
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
ethyl 3-(dimethylamino)but-2-enoate
InChI:
InChI=1S/C8H15NO2/c1-5-11-8(10)6-7(2)9(3)4/h6H,5H2,1-4H3
InChI Key:
CTKXXMXGFDQHTI-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(/N(C)C)\C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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