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190071-45-5 | 2(3H)-Furanone, 3-methylene-
CAS No: 190071-45-5 Catalog No: AG002EAD MDL No:
Product Description
Catalog Number:
AG002EAD
Chemical Name:
2(3H)-Furanone, 3-methylene-
CAS Number:
190071-45-5
Molecular Formula:
C5H4O2
Molecular Weight:
96.0841
IUPAC Name:
3-methylidenefuran-2-one
InChI:
InChI=1S/C5H4O2/c1-4-2-3-7-5(4)6/h2-3H,1H2
InChI Key:
OHUBPYGSLGHDBR-UHFFFAOYSA-N
SMILES:
O=C1OC=CC1=C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.021g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.085g/mol
Monoisotopic Mass:
96.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| The biological and metabolic fates of endogenous DNA damage products. | Journal of nucleic acids 20100101 |
| Half-life and DNA strand scission products of 2-deoxyribonolactone oxidative DNA damage lesions. | Chemical research in toxicology 20040201 |
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