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88408-23-5 | 1-Oxa-5,6-diazaspiro[2.4]hept-4-en-7-one, 4,6-dimethyl-2-phenyl-
CAS No: 88408-23-5 Catalog No: AG004HZW MDL No:
Product Description
Catalog Number:
AG004HZW
Chemical Name:
1-Oxa-5,6-diazaspiro[2.4]hept-4-en-7-one, 4,6-dimethyl-2-phenyl-
CAS Number:
88408-23-5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
5,7-dimethyl-2-phenyl-1-oxa-5,6-diazaspiro[2.4]hept-6-en-4-one
InChI:
InChI=1S/C12H12N2O2/c1-8-12(11(15)14(2)13-8)10(16-12)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChI Key:
QTZRZODUWVXLFE-UHFFFAOYSA-N
SMILES:
CN1N=C(C2(C1=O)OC2c1ccccc1)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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