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101766-91-0 | 1-Butanol, 2-methyl-4-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 101766-91-0 Catalog No: AG0005FB MDL No:
Product Description
Catalog Number:
AG0005FB
Chemical Name:
1-Butanol, 2-methyl-4-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
101766-91-0
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
2-methyl-4-(oxan-2-yloxy)butan-1-ol
InChI:
InChI=1S/C10H20O3/c1-9(8-11)5-7-13-10-4-2-3-6-12-10/h9-11H,2-8H2,1H3
InChI Key:
AYHWDOQHYHOHMB-UHFFFAOYSA-N
SMILES:
OCC(CCOC1CCCCO1)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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