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1569-01-3

1569-01-3 | 2-Propanol, 1-propoxy-

CAS No: 1569-01-3 Catalog No: AG001P30 MDL No:MFCD00192420

Product Description

Catalog Number:
AG001P30
Chemical Name:
2-Propanol, 1-propoxy-
CAS Number:
1569-01-3
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
MDL Number:
MFCD00192420
IUPAC Name:
1-propoxypropan-2-ol
InChI:
InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3
InChI Key:
FENFUOGYJVOCRY-UHFFFAOYSA-N
SMILES:
CCCOCC(O)C
EC Number:
216-372-4

Properties

Complexity:
45.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.099g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Literature

Title Journal
Refractive index of liquid mixtures: theory and experiment. Chemphyschem : a European journal of chemical physics and physical chemistry 20101203
SPME-GC determination of potential volatile organic leachables in aqueous-based pharmaceutical formulations packaged in overwrapped LDPE vials. Journal of pharmaceutical and biomedical analysis 20080715

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