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131907-46-5 | Octadecenoic acid, 12-hydroxy-, (Z)- (9CI)
CAS No: 131907-46-5 Catalog No: AG000ZWX MDL No:
Product Description
Catalog Number:
AG000ZWX
Chemical Name:
Octadecenoic acid, 12-hydroxy-, (Z)- (9CI)
CAS Number:
131907-46-5
Molecular Formula:
C18H34O3
Molecular Weight:
298.4608
IUPAC Name:
12-hydroxyoctadec-2-enoic acid
InChI:
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h13,16-17,19H,2-12,14-15H2,1H3,(H,20,21)
InChI Key:
YQXHKIKYTYUEJU-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCCCCCCC/C=C\C(=O)O)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.251g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.467g/mol
Monoisotopic Mass:
298.251g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
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