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87683-10-1 | 2(3H)-Furanone, 3-butyldihydro-4-hydroxy-
CAS No: 87683-10-1 Catalog No: AG004NSX MDL No:
Product Description
Catalog Number:
AG004NSX
Chemical Name:
2(3H)-Furanone, 3-butyldihydro-4-hydroxy-
CAS Number:
87683-10-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
3-butyl-4-hydroxyoxolan-2-one
InChI:
InChI=1S/C8H14O3/c1-2-3-4-6-7(9)5-11-8(6)10/h6-7,9H,2-5H2,1H3
InChI Key:
DQUVZYXJTGVWFI-UHFFFAOYSA-N
SMILES:
CCCCC1C(O)COC1=O
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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