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100907-31-1 | 2(3H)-Furanone, dihydro-3-methylene-5-phenyl-, (5R)-
CAS No: 100907-31-1 Catalog No: AG000357 MDL No:
Product Description
Catalog Number:
AG000357
Chemical Name:
2(3H)-Furanone, dihydro-3-methylene-5-phenyl-, (5R)-
CAS Number:
100907-31-1
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
3-methylidene-5-phenyloxolan-2-one
InChI:
InChI=1S/C11H10O2/c1-8-7-10(13-11(8)12)9-5-3-2-4-6-9/h2-6,10H,1,7H2
InChI Key:
QQZWJUGXPKGMND-UHFFFAOYSA-N
SMILES:
C=C1C[C@@H](OC1=O)c1ccccc1
NSC Number:
9560
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Tailored α-methylene-γ-butyrolactones and their effects on growth suppression in pancreatic carcinoma cells. | Bioorganic & medicinal chemistry letters 20101115 |
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