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249299-73-8 | Naphthalenedicarboxylic acid, dibutyl ester
CAS No: 249299-73-8 Catalog No: AG002PWO MDL No:
Product Description
Catalog Number:
AG002PWO
Chemical Name:
Naphthalenedicarboxylic acid, dibutyl ester
CAS Number:
249299-73-8
Molecular Formula:
C20H24O4
Molecular Weight:
328.4022
IUPAC Name:
dibutyl naphthalene-1,2-dicarboxylate
InChI:
InChI=1S/C20H24O4/c1-3-5-13-23-19(21)17-12-11-15-9-7-8-10-16(15)18(17)20(22)24-14-6-4-2/h7-12H,3-6,13-14H2,1-2H3
InChI Key:
BSALDGPEFGOAJZ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1ccc2c(c1C(=O)OCCCC)cccc2
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.167g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.408g/mol
Monoisotopic Mass:
328.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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