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89810-14-0 | 2(3H)-Furanone, dihydro-3-(2-imidazolidinylidene)-5-methyl-
CAS No: 89810-14-0 Catalog No: AG003Y63 MDL No:
Product Description
Catalog Number:
AG003Y63
Chemical Name:
2(3H)-Furanone, dihydro-3-(2-imidazolidinylidene)-5-methyl-
CAS Number:
89810-14-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
3-imidazolidin-2-ylidene-5-methyloxolan-2-one
InChI:
InChI=1S/C8H12N2O2/c1-5-4-6(8(11)12-5)7-9-2-3-10-7/h5,9-10H,2-4H2,1H3
InChI Key:
UBOPNJCQYMVPPR-UHFFFAOYSA-N
SMILES:
CC1OC(=O)C(=C2NCCN2)C1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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