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593-03-3

593-03-3 | Hexadecan-3-ol

CAS No: 593-03-3 Catalog No: AG0038M8 MDL No:MFCD00051480

Product Description

Catalog Number:
AG0038M8
Chemical Name:
Hexadecan-3-ol
CAS Number:
593-03-3
Molecular Formula:
C16H34O
Molecular Weight:
242.4406
MDL Number:
MFCD00051480
IUPAC Name:
hexadecan-3-ol
InChI:
InChI=1S/C16H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h16-17H,3-15H2,1-2H3
InChI Key:
ACDUHTSVVVHMGU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(CC)O
EC Number:
209-781-4

Properties

Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.261g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.447g/mol
Monoisotopic Mass:
242.261g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1  

Literature

Title Journal
Carotenoids in marine invertebrates living along the Kuroshio current coast. Marine drugs 20110101
Structure and organization of hexadecanol isomers adsorbed to the air/water interface. Langmuir : the ACS journal of surfaces and colloids 20060912
[Isolation and identification of chemical constituents from Acropora pulchra]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20010901

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