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22122-36-7 | 3-METHYL-2(5H)-FURANONE
CAS No: 22122-36-7 Catalog No: AG003JOX MDL No:MFCD00191545
Product Description
Catalog Number:
AG003JOX
Chemical Name:
3-METHYL-2(5H)-FURANONE
CAS Number:
22122-36-7
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
MDL Number:
MFCD00191545
IUPAC Name:
4-methyl-2H-furan-5-one
InChI:
InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3
InChI Key:
VGHBEMPMIVEGJP-UHFFFAOYSA-N
SMILES:
O=C1OCC=C1C
UNII:
N9KXQ3851K
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.101g/mol
Monoisotopic Mass:
98.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship studies of strigolactone-related molecules for branching inhibition in garden pea: molecule design for shoot branching. | Plant physiology 20120801 |
| Biosynthesis of rhodiocyanosides in Lotus japonicus: rhodiocyanoside A is synthesized from (Z)-2-methylbutanaloxime via 2-methyl-2-butenenitrile. | Phytochemistry 20120501 |
| New branching inhibitors and their potential as strigolactone mimics in rice. | Bioorganic & medicinal chemistry letters 20110815 |
| Structural requirements of strigolactones for hyphal branching in AM fungi. | Plant & cell physiology 20100701 |
| Sesquiterpenes and butenolides, natural anti-HIV constituents from Litsea verticillata. | Planta medica 20050501 |
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