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88293-51-0 | 1-Butanol, 2-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 88293-51-0 Catalog No: AG0049F3 MDL No:
Product Description
Catalog Number:
AG0049F3
Chemical Name:
1-Butanol, 2-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
88293-51-0
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
2-(oxan-2-yloxy)butan-1-ol
InChI:
InChI=1S/C9H18O3/c1-2-8(7-10)12-9-5-3-4-6-11-9/h8-10H,2-7H2,1H3
InChI Key:
XXMSAMHRRYZYCZ-UHFFFAOYSA-N
SMILES:
CCC(OC1CCCCO1)CO
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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