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113560-35-3 | 2-Propanol, 1-butoxy-3-(2-methylpropoxy)-
CAS No: 113560-35-3 Catalog No: AG000904 MDL No:
Product Description
Catalog Number:
AG000904
Chemical Name:
2-Propanol, 1-butoxy-3-(2-methylpropoxy)-
CAS Number:
113560-35-3
Molecular Formula:
C11H24O3
Molecular Weight:
204.3065
IUPAC Name:
1-butoxy-3-(2-methylpropoxy)propan-2-ol
InChI:
InChI=1S/C11H24O3/c1-4-5-6-13-8-11(12)9-14-7-10(2)3/h10-12H,4-9H2,1-3H3
InChI Key:
AAERCZXNGKLGJP-UHFFFAOYSA-N
SMILES:
CCCCOCC(COCC(C)C)O
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.173g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.31g/mol
Monoisotopic Mass:
204.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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