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100010-99-9

100010-99-9 | 1-Propanol, 2-(octyloxy)-

CAS No: 100010-99-9 Catalog No: AG0000AK MDL No:

Product Description

Catalog Number:
AG0000AK
Chemical Name:
1-Propanol, 2-(octyloxy)-
CAS Number:
100010-99-9
Molecular Formula:
C11H24O2
Molecular Weight:
188.3071
IUPAC Name:
2-octoxypropan-1-ol
InChI:
InChI=1S/C11H24O2/c1-3-4-5-6-7-8-9-13-11(2)10-12/h11-12H,3-10H2,1-2H3
InChI Key:
FWFAVISHBVXODB-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(CO)C

Properties

Complexity:
94.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.178g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.311g/mol
Monoisotopic Mass:
188.178g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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