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88521-38-4 | 2-Pentenedioic acid, 2-[(chloroacetyl)amino]-, diethyl ester, (Z)-
CAS No: 88521-38-4 Catalog No: AG00482K MDL No:
Product Description
Catalog Number:
AG00482K
Chemical Name:
2-Pentenedioic acid, 2-[(chloroacetyl)amino]-, diethyl ester, (Z)-
CAS Number:
88521-38-4
Molecular Formula:
C11H16ClNO5
Molecular Weight:
277.7014
IUPAC Name:
diethyl 2-[(2-chloroacetyl)amino]pent-2-enedioate
InChI:
InChI=1S/C11H16ClNO5/c1-3-17-10(15)6-5-8(11(16)18-4-2)13-9(14)7-12/h5H,3-4,6-7H2,1-2H3,(H,13,14)
InChI Key:
VTDPGOPPJOOGCG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C/C=C(/C(=O)OCC)\NC(=O)CCl
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.701g/mol
Monoisotopic Mass:
277.072g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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