Home Other Building Blocks 1-(oxan-4-yl)but-3-en-2-ol

1-(oxan-4-yl)but-3-en-2-ol

CAS No.:
1803571-30-3
Catalog Number:
AG01ABKB
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG01ABKB
Chemical Name:
1-(oxan-4-yl)but-3-en-2-ol
CAS Number:
1803571-30-3
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD28012146
IUPAC Name:
1-(oxan-4-yl)but-3-en-2-ol
InChI:
InChI=1S/C9H16O2/c1-2-9(10)7-8-3-5-11-6-4-8/h2,8-10H,1,3-7H2
InChI Key:
BIUSCWSXNFBUAZ-UHFFFAOYSA-N
SMILES:
C=CC(CC1CCOCC1)O
Properties
Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties