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188480-69-5 | Butanedioic acid, 2-methyl-2-octadecyl-, 1-(phenylmethyl) ester
CAS No: 188480-69-5 Catalog No: AG002GWP MDL No:
Product Description
Catalog Number:
AG002GWP
Chemical Name:
Butanedioic acid, 2-methyl-2-octadecyl-, 1-(phenylmethyl) ester
CAS Number:
188480-69-5
Molecular Formula:
C30H49O4-
Molecular Weight:
473.7077
IUPAC Name:
3-methyl-3-phenylmethoxycarbonylhenicosanoate
InChI:
InChI=1S/C30H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-30(2,25-28(31)32)29(33)34-26-27-22-19-18-20-23-27/h18-20,22-23H,3-17,21,24-26H2,1-2H3,(H,31,32)/p-1
InChI Key:
TXMAGFHUZUEWCQ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCC(C(=O)OCc1ccccc1)(CC(=O)[O-])C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.363g/mol
Formal Charge:
-1
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
473.718g/mol
Monoisotopic Mass:
473.363g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.6
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