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131301-02-5 | 1,2-Benzenedicarboxylic acid, 1-methyl 2-(2-oxiranylmethyl) ester
CAS No: 131301-02-5 Catalog No: AG000VW8 MDL No:
Product Description
Catalog Number:
AG000VW8
Chemical Name:
1,2-Benzenedicarboxylic acid, 1-methyl 2-(2-oxiranylmethyl) ester
CAS Number:
131301-02-5
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
IUPAC Name:
1-O-methyl 2-O-(oxiran-2-ylmethyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C12H12O5/c1-15-11(13)9-4-2-3-5-10(9)12(14)17-7-8-6-16-8/h2-5,8H,6-7H2,1H3
InChI Key:
NHCXYIWILZRCIS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C(=O)OCC1CO1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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