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2549-47-5 | Dimethyl naphthalene-2,7-dicarboxylate
CAS No: 2549-47-5 Catalog No: AG003PL3 MDL No:MFCD03427560
Product Description
Catalog Number:
AG003PL3
Chemical Name:
Dimethyl naphthalene-2,7-dicarboxylate
CAS Number:
2549-47-5
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
MDL Number:
MFCD03427560
IUPAC Name:
dimethyl naphthalene-2,7-dicarboxylate
InChI:
InChI=1S/C14H12O4/c1-17-13(15)10-5-3-9-4-6-11(14(16)18-2)8-12(9)7-10/h3-8H,1-2H3
InChI Key:
WYIBAMPRACRCOM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)cc(cc2)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:
2.9
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