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189279-09-2 | 1-Propanol, 2,2-dimethyl-3-(2-methylpropoxy)-
CAS No: 189279-09-2 Catalog No: AG002I69 MDL No:
Product Description
Catalog Number:
AG002I69
Chemical Name:
1-Propanol, 2,2-dimethyl-3-(2-methylpropoxy)-
CAS Number:
189279-09-2
Molecular Formula:
C9H20O2
Molecular Weight:
160.2539
IUPAC Name:
2,2-dimethyl-3-(2-methylpropoxy)propan-1-ol
InChI:
InChI=1S/C9H20O2/c1-8(2)5-11-7-9(3,4)6-10/h8,10H,5-7H2,1-4H3
InChI Key:
NWRSCFQSXJKOPT-UHFFFAOYSA-N
SMILES:
OCC(COCC(C)C)(C)C
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.146g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.257g/mol
Monoisotopic Mass:
160.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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