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113412-44-5 | 1-Propanol, 2,2-dimethyl-3-(3-methylbutoxy)-
CAS No: 113412-44-5 Catalog No: AG0008HS MDL No:
Product Description
Catalog Number:
AG0008HS
Chemical Name:
1-Propanol, 2,2-dimethyl-3-(3-methylbutoxy)-
CAS Number:
113412-44-5
Molecular Formula:
C10H22O2
Molecular Weight:
174.2805
IUPAC Name:
2,2-dimethyl-3-(3-methylbutoxy)propan-1-ol
InChI:
InChI=1S/C10H22O2/c1-9(2)5-6-12-8-10(3,4)7-11/h9,11H,5-8H2,1-4H3
InChI Key:
UCBKXWZINUKTOH-UHFFFAOYSA-N
SMILES:
OCC(COCCC(C)C)(C)C
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.162g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.284g/mol
Monoisotopic Mass:
174.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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