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76529-42-5 | Pentadecanoic acid, 15-hydroxy-, methyl ester
CAS No: 76529-42-5 Catalog No: AG005KR8 MDL No:
Product Description
Catalog Number:
AG005KR8
Chemical Name:
Pentadecanoic acid, 15-hydroxy-, methyl ester
CAS Number:
76529-42-5
Molecular Formula:
C16H32O3
Molecular Weight:
272.4235
IUPAC Name:
methyl 15-hydroxypentadecanoate
InChI:
InChI=1S/C16H32O3/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h17H,2-15H2,1H3
InChI Key:
WQCYAHKAJFZVCO-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCCC(=O)OC
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.235g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.429g/mol
Monoisotopic Mass:
272.235g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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