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116089-30-6 | 2H-Pyrrol-2-one, 1,5-dihydro-4-hydroxy-1,5,5-trimethyl-
CAS No: 116089-30-6 Catalog No: AG000BLH MDL No:
Product Description
Catalog Number:
AG000BLH
Chemical Name:
2H-Pyrrol-2-one, 1,5-dihydro-4-hydroxy-1,5,5-trimethyl-
CAS Number:
116089-30-6
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
4-hydroxy-1,5,5-trimethylpyrrol-2-one
InChI:
InChI=1S/C7H11NO2/c1-7(2)5(9)4-6(10)8(7)3/h4,9H,1-3H3
InChI Key:
WPRINYKZHGYAMM-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(N1C)(C)C)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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