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88055-60-1 | 1-Buten-1-ol, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 88055-60-1 Catalog No: AG004IHO MDL No:
Product Description
Catalog Number:
AG004IHO
Chemical Name:
1-Buten-1-ol, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
88055-60-1
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
4-(oxan-2-yloxy)but-1-en-1-ol
InChI:
InChI=1S/C9H16O3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,6,9-10H,1,3-5,7-8H2
InChI Key:
OVZFYGWRBHZPRA-UHFFFAOYSA-N
SMILES:
OC=CCCOC1CCCCO1
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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