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1020-67-3 | 2-Butenoic acid, 3-[(phenylmethyl)amino]-, ethyl ester
CAS No: 1020-67-3 Catalog No: AG0006A9 MDL No:
Product Description
Catalog Number:
AG0006A9
Chemical Name:
2-Butenoic acid, 3-[(phenylmethyl)amino]-, ethyl ester
CAS Number:
1020-67-3
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
ethyl (E)-3-(benzylamino)but-2-enoate
InChI:
InChI=1S/C13H17NO2/c1-3-16-13(15)9-11(2)14-10-12-7-5-4-6-8-12/h4-9,14H,3,10H2,1-2H3/b11-9+
InChI Key:
RWPJUWHLVMMSQO-PKNBQFBNSA-N
SMILES:
CCOC(=O)C=C(NCc1ccccc1)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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