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88912-54-3 | Methanone, (2-hydroxy-4-octadecylphenyl)phenyl-
CAS No: 88912-54-3 Catalog No: AG00496H MDL No:
Product Description
Catalog Number:
AG00496H
Chemical Name:
Methanone, (2-hydroxy-4-octadecylphenyl)phenyl-
CAS Number:
88912-54-3
Molecular Formula:
C31H46O2
Molecular Weight:
450.6957
IUPAC Name:
(2-hydroxy-4-octadecylphenyl)-phenylmethanone
InChI:
InChI=1S/C31H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-27-24-25-29(30(32)26-27)31(33)28-22-19-17-20-23-28/h17,19-20,22-26,32H,2-16,18,21H2,1H3
InChI Key:
UTUHHCIGNQDIHT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCc1ccc(c(c1)O)C(=O)c1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.35g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
450.707g/mol
Monoisotopic Mass:
450.35g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.9
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