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119450-17-8 | Butanedioic acid, 1-nonyl 4-(phenylmethyl) ester
CAS No: 119450-17-8 Catalog No: AG000IST MDL No:
Product Description
Catalog Number:
AG000IST
Chemical Name:
Butanedioic acid, 1-nonyl 4-(phenylmethyl) ester
CAS Number:
119450-17-8
Molecular Formula:
C20H30O4
Molecular Weight:
334.4498
IUPAC Name:
4-O-benzyl 1-O-nonyl butanedioate
InChI:
InChI=1S/C20H30O4/c1-2-3-4-5-6-7-11-16-23-19(21)14-15-20(22)24-17-18-12-9-8-10-13-18/h8-10,12-13H,2-7,11,14-17H2,1H3
InChI Key:
LZXXTGLTBYLDBX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)CCC(=O)OCc1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.456g/mol
Monoisotopic Mass:
334.214g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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