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3063-79-4 | 2-Pyrrolidinone, 1-(4-methylphenyl)-
CAS No: 3063-79-4 Catalog No: AG0030QH MDL No:MFCD00138487
Product Description
Catalog Number:
AG0030QH
Chemical Name:
2-Pyrrolidinone, 1-(4-methylphenyl)-
CAS Number:
3063-79-4
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00138487
IUPAC Name:
1-(4-methylphenyl)pyrrolidin-2-one
InChI:
InChI=1S/C11H13NO/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
InChI Key:
ORPHOKOVVUFNKE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1CCCC1=O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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