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Home Other Building Blocks 4-(oxolan-2-yl)butan-1-ol

4-(oxolan-2-yl)butan-1-ol

CAS No.:
98560-52-2
Catalog Number:
AG01DWXT
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
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Product Description
Catalog Number:
AG01DWXT
Chemical Name:
4-(oxolan-2-yl)butan-1-ol
CAS Number:
98560-52-2
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
MDL Number:
MFCD20340728
IUPAC Name:
4-(oxolan-2-yl)butan-1-ol
InChI:
InChI=1S/C8H16O2/c9-6-2-1-4-8-5-3-7-10-8/h8-9H,1-7H2
InChI Key:
USGLOBLTQVEPRF-UHFFFAOYSA-N
SMILES:
OCCCCC1CCCO1
Properties
Complexity:
83.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Physical-chemical and solvent considerations in evaluating the influence of carbon chain length on the skin sensitization activity of 1-bromoalkanes. Toxicological sciences : an official journal of the Society of Toxicology 20090101
Properties