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100113-53-9 | 1-Butanone,1-(tetrahydro-2-furanyl)-
CAS No: 100113-53-9 Catalog No: AG0000Z8 MDL No:
Product Description
Catalog Number:
AG0000Z8
Chemical Name:
1-Butanone,1-(tetrahydro-2-furanyl)-
CAS Number:
100113-53-9
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
1-(oxolan-2-yl)butan-1-one
InChI:
InChI=1S/C8H14O2/c1-2-4-7(9)8-5-3-6-10-8/h8H,2-6H2,1H3
InChI Key:
AJVISEDONRMJFV-UHFFFAOYSA-N
SMILES:
CCCC(=O)C1CCCO1
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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