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1217-12-5 | 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetramethyl-, 1,2-dimethyl ester
CAS No: 1217-12-5 Catalog No: AG0015LO MDL No:
Product Description
Catalog Number:
AG0015LO
Chemical Name:
1,2-Benzenedicarboxylic acid, 3,4,5,6-tetramethyl-, 1,2-dimethyl ester
CAS Number:
1217-12-5
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
dimethyl 3,4,5,6-tetramethylbenzene-1,2-dicarboxylate
InChI:
InChI=1S/C14H18O4/c1-7-8(2)10(4)12(14(16)18-6)11(9(7)3)13(15)17-5/h1-6H3
InChI Key:
CPDVTZGEHQIGHX-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C(=O)OC)c(C)c(c(c1C)C)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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