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139669-84-4 | 2-Pyrrolidinone, 3-ethenyl-
CAS No: 139669-84-4 Catalog No: AG001BH0 MDL No:
Product Description
Catalog Number:
AG001BH0
Chemical Name:
2-Pyrrolidinone, 3-ethenyl-
CAS Number:
139669-84-4
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
IUPAC Name:
3-ethenylpyrrolidin-2-one
InChI:
InChI=1S/C6H9NO/c1-2-5-3-4-7-6(5)8/h2,5H,1,3-4H2,(H,7,8)
InChI Key:
PAWGAIPTLBIYRS-UHFFFAOYSA-N
SMILES:
C=CC1CCNC1=O
Properties
Complexity:
120
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:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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