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Home > Other Building Blocks > 88571-43-1
88571-43-1 | 2H-Pyrrol-2-one, 1,3-dihydro-3,5-dimethyl-
CAS No: 88571-43-1 Catalog No: AG004DM6 MDL No:MFCD12923674
Product Description
Catalog Number:
AG004DM6
Chemical Name:
2H-Pyrrol-2-one, 1,3-dihydro-3,5-dimethyl-
CAS Number:
88571-43-1
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
MDL Number:
MFCD12923674
IUPAC Name:
3,5-dimethyl-1,3-dihydropyrrol-2-one
InChI:
InChI=1S/C6H9NO/c1-4-3-5(2)7-6(4)8/h3-4H,1-2H3,(H,7,8)
InChI Key:
ONMLRXAMASYDNW-UHFFFAOYSA-N
SMILES:
CC1=CC(C(=O)N1)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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