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115667-16-8 | 2-Propenoic acid, 2-[(phenoxycarbonyl)amino]-, ethyl ester
CAS No: 115667-16-8 Catalog No: AG000GQN MDL No:
Product Description
Catalog Number:
AG000GQN
Chemical Name:
2-Propenoic acid, 2-[(phenoxycarbonyl)amino]-, ethyl ester
CAS Number:
115667-16-8
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
ethyl 2-(phenoxycarbonylamino)prop-2-enoate
InChI:
InChI=1S/C12H13NO4/c1-3-16-11(14)9(2)13-12(15)17-10-7-5-4-6-8-10/h4-8H,2-3H2,1H3,(H,13,15)
InChI Key:
RSOVKLPXFJLGQT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C)NC(=O)Oc1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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