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69079-26-1 | 1-BENZYL-2-METHYL-3-PYRROLIDONE
CAS No: 69079-26-1 Catalog No: AG005LPH MDL No:MFCD09840021
Product Description
Catalog Number:
AG005LPH
Chemical Name:
1-BENZYL-2-METHYL-3-PYRROLIDONE
CAS Number:
69079-26-1
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD09840021
IUPAC Name:
1-benzyl-2-methylpyrrolidin-3-one
InChI:
InChI=1S/C12H15NO/c1-10-12(14)7-8-13(10)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChI Key:
KQGNDKNHORROII-UHFFFAOYSA-N
SMILES:
CC1N(CCC1=O)Cc1ccccc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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