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119200-36-1 | 2,4-Hexadienedioic acid, 1-methyl ester, (2Z,4E)-
CAS No: 119200-36-1 Catalog No: AG000IDD MDL No:
Product Description
Catalog Number:
AG000IDD
Chemical Name:
2,4-Hexadienedioic acid, 1-methyl ester, (2Z,4E)-
CAS Number:
119200-36-1
Molecular Formula:
C7H7O4-
Molecular Weight:
155.1281
IUPAC Name:
6-methoxy-6-oxohexa-2,4-dienoate
InChI:
InChI=1S/C7H8O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H,1H3,(H,8,9)/p-1
InChI Key:
CEKUJDXLIOIGRR-UHFFFAOYSA-M
SMILES:
COC(=O)/C=C\C=C\C(=O)[O-]
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.034g/mol
Formal Charge:
-1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.129g/mol
Monoisotopic Mass:
155.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.2
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