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102148-87-8 | 1,2-Benzenedicarboxylic acid, 1-butyl 2-propyl ester
CAS No: 102148-87-8 Catalog No: AG0006RB MDL No:
Product Description
Catalog Number:
AG0006RB
Chemical Name:
1,2-Benzenedicarboxylic acid, 1-butyl 2-propyl ester
CAS Number:
102148-87-8
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
2-O-butyl 1-O-propyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C15H20O4/c1-3-5-11-19-15(17)13-9-7-6-8-12(13)14(16)18-10-4-2/h6-9H,3-5,10-11H2,1-2H3
InChI Key:
AJMYPCAFZCFWGG-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1ccccc1C(=O)OCCC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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