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13021-51-7 | 2-Propanol, 1-butoxy-3-methoxy-
CAS No: 13021-51-7 Catalog No: AG000U5J MDL No:
Product Description
Catalog Number:
AG000U5J
Chemical Name:
2-Propanol, 1-butoxy-3-methoxy-
CAS Number:
13021-51-7
Molecular Formula:
C8H18O3
Molecular Weight:
162.2267
IUPAC Name:
1-butoxy-3-methoxypropan-2-ol
InChI:
InChI=1S/C8H18O3/c1-3-4-5-11-7-8(9)6-10-2/h8-9H,3-7H2,1-2H3
InChI Key:
PDOHSQUJDZJZOJ-UHFFFAOYSA-N
SMILES:
CCCCOCC(COC)O
Properties
Complexity:
75.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.229g/mol
Monoisotopic Mass:
162.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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