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132332-01-5 | Ethanone, 1-[4-(hydroxymethyl)-2-furanyl]-
CAS No: 132332-01-5 Catalog No: AG0010K1 MDL No:
Product Description
Catalog Number:
AG0010K1
Chemical Name:
Ethanone, 1-[4-(hydroxymethyl)-2-furanyl]-
CAS Number:
132332-01-5
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
IUPAC Name:
1-[4-(hydroxymethyl)furan-2-yl]ethanone
InChI:
InChI=1S/C7H8O3/c1-5(9)7-2-6(3-8)4-10-7/h2,4,8H,3H2,1H3
InChI Key:
IGOYTTDPXAHPSS-UHFFFAOYSA-N
SMILES:
OCc1coc(c1)C(=O)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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