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189179-35-9 | 2-Pyrrolidinone, 1-[(4Z)-4-(4-methyl-5-oxo-2(5H)-furanylidene)butyl]-
CAS No: 189179-35-9 Catalog No: AG002I07 MDL No:
Product Description
Catalog Number:
AG002I07
Chemical Name:
2-Pyrrolidinone, 1-[(4Z)-4-(4-methyl-5-oxo-2(5H)-furanylidene)butyl]-
CAS Number:
189179-35-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
1-[4-(4-methyl-5-oxofuran-2-ylidene)butyl]pyrrolidin-2-one
InChI:
InChI=1S/C13H17NO3/c1-10-9-11(17-13(10)16)5-2-3-7-14-8-4-6-12(14)15/h5,9H,2-4,6-8H2,1H3
InChI Key:
AEEIFNXEUWFZED-UHFFFAOYSA-N
SMILES:
O=C1CCCN1CCC/C=C\1/C=C(C(=O)O1)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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