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2113-91-9 | 2H-Pyrrol-2-one, 3-acetyl-1,5-dihydro-4-hydroxy-5-(1-methylethyl)-
CAS No: 2113-91-9 Catalog No: AG002L9S MDL No:
Product Description
Catalog Number:
AG002L9S
Chemical Name:
2H-Pyrrol-2-one, 3-acetyl-1,5-dihydro-4-hydroxy-5-(1-methylethyl)-
CAS Number:
2113-91-9
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
4-acetyl-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one
InChI:
InChI=1S/C9H13NO3/c1-4(2)7-8(12)6(5(3)11)9(13)10-7/h4,7,12H,1-3H3,(H,10,13)
InChI Key:
JYLWAPLSGOUVIV-UHFFFAOYSA-N
SMILES:
CC(C1NC(=O)C(=C1O)C(=O)C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Reactive oxygen species from chloroplasts contribute to 3-acetyl-5-isopropyltetramic acid-induced leaf necrosis of Arabidopsis thaliana. | Plant physiology and biochemistry : PPB 20120301 |
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