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100132-85-2 | Propanedioic acid, 2-[(1-oxo-2-propen-1-yl)amino]-, 1,3-diethyl ester
CAS No: 100132-85-2 Catalog No: AG000113 MDL No:
Product Description
Catalog Number:
AG000113
Chemical Name:
Propanedioic acid, 2-[(1-oxo-2-propen-1-yl)amino]-, 1,3-diethyl ester
CAS Number:
100132-85-2
Molecular Formula:
C10H15NO5
Molecular Weight:
229.2298
IUPAC Name:
diethyl 2-(prop-2-enoylamino)propanedioate
InChI:
InChI=1S/C10H15NO5/c1-4-7(12)11-8(9(13)15-5-2)10(14)16-6-3/h4,8H,1,5-6H2,2-3H3,(H,11,12)
InChI Key:
KSKCXFCXHNWLNO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)NC(=O)C=C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.232g/mol
Monoisotopic Mass:
229.095g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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