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13021-52-8 | 2-Propanol, 1-butoxy-3-ethoxy-
CAS No: 13021-52-8 Catalog No: AG000U5I MDL No:
Product Description
Catalog Number:
AG000U5I
Chemical Name:
2-Propanol, 1-butoxy-3-ethoxy-
CAS Number:
13021-52-8
Molecular Formula:
C9H20O3
Molecular Weight:
176.2533
IUPAC Name:
1-butoxy-3-ethoxypropan-2-ol
InChI:
InChI=1S/C9H20O3/c1-3-5-6-12-8-9(10)7-11-4-2/h9-10H,3-8H2,1-2H3
InChI Key:
UXQUQIDOQQLAOV-UHFFFAOYSA-N
SMILES:
CCCCOCC(COCC)O
Properties
Complexity:
85.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.141g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.256g/mol
Monoisotopic Mass:
176.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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