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23324-72-3 | 9,11-Octadecadienoic acid, 13-hydroxy-, methyl ester
CAS No: 23324-72-3 Catalog No: AG002MUU MDL No:
Product Description
Catalog Number:
AG002MUU
Chemical Name:
9,11-Octadecadienoic acid, 13-hydroxy-, methyl ester
CAS Number:
23324-72-3
Molecular Formula:
C19H34O3
Molecular Weight:
310.4715
IUPAC Name:
methyl (9E,11E)-13-hydroxyoctadeca-9,11-dienoate
InChI:
InChI=1S/C19H34O3/c1-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19(21)22-2/h8,10,13,16,18,20H,3-7,9,11-12,14-15,17H2,1-2H3/b10-8+,16-13+
InChI Key:
ZVMLLPSSQZSZOA-ZQHUEGGHSA-N
SMILES:
CCCCCC(C=CC=CCCCCCCCC(=O)OC)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
310.251g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.478g/mol
Monoisotopic Mass:
310.251g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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