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119450-18-9 | Butanedioic acid, 1-decyl 4-(phenylmethyl) ester
CAS No: 119450-18-9 Catalog No: AG000ISS MDL No:
Product Description
Catalog Number:
AG000ISS
Chemical Name:
Butanedioic acid, 1-decyl 4-(phenylmethyl) ester
CAS Number:
119450-18-9
Molecular Formula:
C21H32O4
Molecular Weight:
348.4764
IUPAC Name:
4-O-benzyl 1-O-decyl butanedioate
InChI:
InChI=1S/C21H32O4/c1-2-3-4-5-6-7-8-12-17-24-20(22)15-16-21(23)25-18-19-13-10-9-11-14-19/h9-11,13-14H,2-8,12,15-18H2,1H3
InChI Key:
NMPJZUHKNJYKSJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)CCC(=O)OCc1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.23g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.483g/mol
Monoisotopic Mass:
348.23g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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