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123796-70-3 | 1,2-Benzenedicarboxylic acid, 3,4-dimethoxy-, 2-ethyl ester
CAS No: 123796-70-3 Catalog No: AG000L3T MDL No:
Product Description
Catalog Number:
AG000L3T
Chemical Name:
1,2-Benzenedicarboxylic acid, 3,4-dimethoxy-, 2-ethyl ester
CAS Number:
123796-70-3
Molecular Formula:
C12H13O6-
Molecular Weight:
253.2280
IUPAC Name:
6-ethoxycarbonyl-2,3-dimethoxybenzoate
InChI:
InChI=1S/C12H14O6/c1-4-18-12(15)7-5-6-8(16-2)10(17-3)9(7)11(13)14/h5-6H,4H2,1-3H3,(H,13,14)/p-1
InChI Key:
YSSRAFLMFRNXKL-UHFFFAOYSA-M
SMILES:
CCOC(=O)c1ccc(c(c1C(=O)[O-])OC)OC
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.071g/mol
Formal Charge:
-1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.23g/mol
Monoisotopic Mass:
253.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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