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2055-00-7 | 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl dimethyl ester (9CI)
CAS No: 2055-00-7 Catalog No: AG002A4T MDL No:
Product Description
Catalog Number:
AG002A4T
Chemical Name:
1,2-Benzenedicarboxylic acid, 1,2-ethanediyl dimethyl ester (9CI)
CAS Number:
2055-00-7
Molecular Formula:
O16P4Ti3
Molecular Weight:
523.4864
IUPAC Name:
2-O-[2-(2-methoxycarbonylbenzoyl)oxyethyl] 1-O-methyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C20H18O8/c1-25-17(21)13-7-3-5-9-15(13)19(23)27-11-12-28-20(24)16-10-6-4-8-14(16)18(22)26-2/h3-10H,11-12H2,1-2H3
InChI Key:
VMTRIKRTABFUOS-UHFFFAOYSA-N
SMILES:
[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ti+4].[Ti+4].[Ti+4]
EC Number:
218-150-2
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.1g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.356g/mol
Monoisotopic Mass:
386.1g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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