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24539-59-1 | 1,2-Benzenedicarboxylic acid, 1-nonyl ester
CAS No: 24539-59-1 Catalog No: AG002OGR MDL No:
Product Description
Catalog Number:
AG002OGR
Chemical Name:
1,2-Benzenedicarboxylic acid, 1-nonyl ester
CAS Number:
24539-59-1
Molecular Formula:
C17H23O4-
Molecular Weight:
291.3621
IUPAC Name:
2-nonoxycarbonylbenzoic acid
InChI:
InChI=1S/C17H24O4/c1-2-3-4-5-6-7-10-13-21-17(20)15-12-9-8-11-14(15)16(18)19/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19)
InChI Key:
LNKHFECVVLVFFE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)c1ccccc1C(=O)[O-]
EC Number:
246-303-3
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.375g/mol
Monoisotopic Mass:
292.167g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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