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141625-42-5 | 2-Butenedioic acid, 2-(ethylamino)-, 1,4-dimethyl ester
CAS No: 141625-42-5 Catalog No: AG001GOP MDL No:
Product Description
Catalog Number:
AG001GOP
Chemical Name:
2-Butenedioic acid, 2-(ethylamino)-, 1,4-dimethyl ester
CAS Number:
141625-42-5
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
IUPAC Name:
dimethyl 2-(ethylamino)but-2-enedioate
InChI:
InChI=1S/C8H13NO4/c1-4-9-6(8(11)13-3)5-7(10)12-2/h5,9H,4H2,1-3H3
InChI Key:
RZVLGLRMWUCPPY-UHFFFAOYSA-N
SMILES:
CCNC(=CC(=O)OC)C(=O)OC
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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