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89670-60-0

89670-60-0 | Pentadecanoic acid, 3-hydroxymethyl-

CAS No: 89670-60-0 Catalog No: AG0044K3 MDL No:

Product Description

Catalog Number:
AG0044K3
Chemical Name:
Pentadecanoic acid, 3-hydroxymethyl-
CAS Number:
89670-60-0
Molecular Formula:
C16H32O3
Molecular Weight:
272.4235
IUPAC Name:
3-(hydroxymethyl)pentadecanoic acid
InChI:
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(14-17)13-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChI Key:
VNDINBPRMZDJQT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(CC(=O)O)CO

Properties

Complexity:
204  
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:
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  

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