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88457-39-0 | 1,2-Benzenedicarboxylic acid, mono(2-methoxy-2-oxoethyl) ester
CAS No: 88457-39-0 Catalog No: AG004FIJ MDL No:
Product Description
Catalog Number:
AG004FIJ
Chemical Name:
1,2-Benzenedicarboxylic acid, mono(2-methoxy-2-oxoethyl) ester
CAS Number:
88457-39-0
Molecular Formula:
C11H9O6-
Molecular Weight:
237.1856
IUPAC Name:
2-(2-methoxy-2-oxoethoxy)carbonylbenzoate
InChI:
InChI=1S/C11H10O6/c1-16-9(12)6-17-11(15)8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3,(H,13,14)/p-1
InChI Key:
NQUMGRHSNCHCPN-UHFFFAOYSA-M
SMILES:
COC(=O)COC(=O)c1ccccc1C(=O)[O-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.04g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.187g/mol
Monoisotopic Mass:
237.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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