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29533-75-3 | Octadecanoic acid, (hydroxyphenyl)- (7CI,8CI,9CI)
CAS No: 29533-75-3 Catalog No: AG002YNX MDL No:
Product Description
Catalog Number:
AG002YNX
Chemical Name:
Octadecanoic acid, (hydroxyphenyl)- (7CI,8CI,9CI)
CAS Number:
29533-75-3
Molecular Formula:
C24H40O3
Molecular Weight:
376.5726
IUPAC Name:
2-(2-hydroxyphenyl)octadecanoic acid
InChI:
InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22(24(26)27)21-18-16-17-20-23(21)25/h16-18,20,22,25H,2-15,19H2,1H3,(H,26,27)
InChI Key:
PEVRHEJTLALVQB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(c1ccccc1O)C(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.298g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.581g/mol
Monoisotopic Mass:
376.298g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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