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2113-88-4 | 2H-Pyrrol-2-one, 3-acetyl-1,5-dihydro-4-hydroxy-5-(2-methylpropyl)-
CAS No: 2113-88-4 Catalog No: AG002L9T MDL No:
Product Description
Catalog Number:
AG002L9T
Chemical Name:
2H-Pyrrol-2-one, 3-acetyl-1,5-dihydro-4-hydroxy-5-(2-methylpropyl)-
CAS Number:
2113-88-4
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
4-acetyl-3-hydroxy-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
InChI:
InChI=1S/C10H15NO3/c1-5(2)4-7-9(13)8(6(3)12)10(14)11-7/h5,7,13H,4H2,1-3H3,(H,11,14)
InChI Key:
SHHAXAUQMPMPRV-UHFFFAOYSA-N
SMILES:
CC(CC1NC(=O)C(=C1O)C(=O)C)C
NSC Number:
70328
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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