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591-12-8 | 5-Methylfuran-2(3H)-one
CAS No: 591-12-8 Catalog No: AG00353E MDL No:MFCD00005375
Product Description
Catalog Number:
AG00353E
Chemical Name:
5-Methylfuran-2(3H)-one
CAS Number:
591-12-8
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
MDL Number:
MFCD00005375
InChI:
InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
InChI Key:
QOTQFLOTGBBMEX-UHFFFAOYSA-N
SMILES:
O=C1CC=C(O1)C
EC Number:
209-701-8
UNII:
29CRF6L9C5
NSC Number:
654
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 |
|---|---|
| Asymmetric assembly of 2-oxindole and α-angelica lactone units to construct vicinal quaternary chiral centers. | Chemical communications (Cambridge, England) 20120227 |
| Catalytic asymmetric vinylogous Mannich-type (AVM) reaction of nonactivated α-angelica lactone. | Organic letters 20110617 |
| Photolysis of 4-oxo-2-pentenal in the 190-460 nm region. | The journal of physical chemistry. A 20070920 |
| Induction of rat hepatic and intestinal UDP-glucuronosyltransferases by naturally occurring dietary anticarcinogens. | Carcinogenesis 20031001 |
| Enhancement of glutathione and g-glutamylcysteine synthetase, the rate limiting enzyme of glutathione synthesis, by chemoprotective plant-derived food and beverage components in the human hepatoma cell line HepG2. | Nutrition and cancer 20030101 |
| The Cap'n'Collar basic leucine zipper transcription factor Nrf2 (NF-E2 p45-related factor 2) controls both constitutive and inducible expression of intestinal detoxification and glutathione biosynthetic enzymes. | Cancer research 20010415 |
| Effects of dietary anticarcinogens on rat gastrointestinal glutathione S-transferase theta 1-1 levels. | Carcinogenesis 19981101 |
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