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85409-84-3 | 8-METHYLNONYL BENZYL PHTHALATE
CAS No: 85409-84-3 Catalog No: AG004T1G MDL No:
Product Description
Catalog Number:
AG004T1G
Chemical Name:
8-METHYLNONYL BENZYL PHTHALATE
CAS Number:
85409-84-3
Molecular Formula:
C25H32O4
Molecular Weight:
396.5192
IUPAC Name:
2-O-benzyl 1-O-(8-methylnonyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C25H32O4/c1-20(2)13-7-4-3-5-12-18-28-24(26)22-16-10-11-17-23(22)25(27)29-19-21-14-8-6-9-15-21/h6,8-11,14-17,20H,3-5,7,12-13,18-19H2,1-2H3
InChI Key:
JEDQSFKWKKVGLW-UHFFFAOYSA-N
SMILES:
CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1)C
EC Number:
287-156-5
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.23g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.527g/mol
Monoisotopic Mass:
396.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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