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2777-50-6 | Hexadecanoic acid, 8-hydroxy-, (8S)-
CAS No: 2777-50-6 Catalog No: AG002UPO MDL No:
Product Description
Catalog Number:
AG002UPO
Chemical Name:
Hexadecanoic acid, 8-hydroxy-, (8S)-
CAS Number:
2777-50-6
Molecular Formula:
C16H32O3
Molecular Weight:
272.4235
IUPAC Name:
(8S)-8-hydroxyhexadecanoic acid
InChI:
InChI=1S/C16H32O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
InChI Key:
KMEKMXBMYZGGDT-HNNXBMFYSA-N
SMILES:
CCCCCCCC[C@@H](CCCCCCC(=O)O)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Isotope Atom Count:
0
Molecular Weight:
272.429g/mol
Monoisotopic Mass:
272.235g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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