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141262-30-8 | 2,6-Naphthalenedicarboxylic acid, 2,6-bis(1-methylethyl) ester
CAS No: 141262-30-8 Catalog No: AG001G5G MDL No:
Product Description
Catalog Number:
AG001G5G
Chemical Name:
2,6-Naphthalenedicarboxylic acid, 2,6-bis(1-methylethyl) ester
CAS Number:
141262-30-8
Molecular Formula:
C18H20O4
Molecular Weight:
300.3490
IUPAC Name:
dipropan-2-yl naphthalene-2,6-dicarboxylate
InChI:
InChI=1S/C18H20O4/c1-11(2)21-17(19)15-7-5-14-10-16(8-6-13(14)9-15)18(20)22-12(3)4/h5-12H,1-4H3
InChI Key:
WFJXGFNXZIFNPG-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccc2c(c1)ccc(c2)C(=O)OC(C)C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.354g/mol
Monoisotopic Mass:
300.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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