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16144-94-8 | 1,6-Naphthalenedicarboxylic acid, 1,6-dimethyl ester
CAS No: 16144-94-8 Catalog No: AG001SHG MDL No:
Product Description
Catalog Number:
AG001SHG
Chemical Name:
1,6-Naphthalenedicarboxylic acid, 1,6-dimethyl ester
CAS Number:
16144-94-8
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
IUPAC Name:
dimethyl naphthalene-1,6-dicarboxylate
InChI:
InChI=1S/C14H12O4/c1-17-13(15)10-6-7-11-9(8-10)4-3-5-12(11)14(16)18-2/h3-8H,1-2H3
InChI Key:
JZZYEPMPRIJICF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)cccc2C(=O)OC
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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