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89537-40-6 | 2-Butenedioic acid, 2,3-bis(1-oxopropyl)-, diethyl ester, (E)-
CAS No: 89537-40-6 Catalog No: AG00403Y MDL No:
Product Description
Catalog Number:
AG00403Y
Chemical Name:
2-Butenedioic acid, 2,3-bis(1-oxopropyl)-, diethyl ester, (E)-
CAS Number:
89537-40-6
Molecular Formula:
C14H20O6
Molecular Weight:
284.3050
IUPAC Name:
diethyl 2,3-di(propanoyl)but-2-enedioate
InChI:
InChI=1S/C14H20O6/c1-5-9(15)11(13(17)19-7-3)12(10(16)6-2)14(18)20-8-4/h5-8H2,1-4H3
InChI Key:
QTJIJVFRNCHFII-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C(/C(=O)OCC)\C(=O)CC)/C(=O)CC
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.308g/mol
Monoisotopic Mass:
284.126g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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