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85613-03-2 | 4H-Pyran-4-one, 2-(2-furanyl)-2,3-dihydro-
CAS No: 85613-03-2 Catalog No: AG004U4P MDL No:
Product Description
Catalog Number:
AG004U4P
Chemical Name:
4H-Pyran-4-one, 2-(2-furanyl)-2,3-dihydro-
CAS Number:
85613-03-2
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
IUPAC Name:
2-(furan-2-yl)-2,3-dihydropyran-4-one
InChI:
InChI=1S/C9H8O3/c10-7-3-5-12-9(6-7)8-2-1-4-11-8/h1-5,9H,6H2
InChI Key:
VOSAISBQOWTODI-UHFFFAOYSA-N
SMILES:
O=C1C=COC(C1)c1ccco1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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