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10060-33-0 | 1,8-Naphthalenedicarboxylic acid, 1,8-dimethyl ester
CAS No: 10060-33-0 Catalog No: AG0002GP MDL No:
Product Description
Catalog Number:
AG0002GP
Chemical Name:
1,8-Naphthalenedicarboxylic acid, 1,8-dimethyl ester
CAS Number:
10060-33-0
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
IUPAC Name:
dimethyl naphthalene-1,8-dicarboxylate
InChI:
InChI=1S/C14H12O4/c1-17-13(15)10-7-3-5-9-6-4-8-11(12(9)10)14(16)18-2/h3-8H,1-2H3
InChI Key:
OVPXRLUTUWRYEY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1c(ccc2)C(=O)OC
Properties
Complexity:
296
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:
2.6
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