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114106-77-3 | 2-Pentenedioic acid, 4-(methoxymethylene)-, 1,5-dimethyl ester, (2E,4Z)-
CAS No: 114106-77-3 Catalog No: AG000AKQ MDL No:
Product Description
Catalog Number:
AG000AKQ
Chemical Name:
2-Pentenedioic acid, 4-(methoxymethylene)-, 1,5-dimethyl ester, (2E,4Z)-
CAS Number:
114106-77-3
Molecular Formula:
C9H12O5
Molecular Weight:
200.1886
IUPAC Name:
dimethyl 4-(methoxymethylidene)pent-2-enedioate
InChI:
InChI=1S/C9H12O5/c1-12-6-7(9(11)14-3)4-5-8(10)13-2/h4-6H,1-3H3
InChI Key:
ZSTWNQBAVUPRRU-UHFFFAOYSA-N
SMILES:
CO/C=C(\C(=O)OC)/C=C/C(=O)OC
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.19g/mol
Monoisotopic Mass:
200.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.6
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