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83286-31-1 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-methyl-1H-pyrrol-2-yl)-
CAS No: 83286-31-1 Catalog No: AG004XGQ MDL No:
Product Description
Catalog Number:
AG004XGQ
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-methyl-1H-pyrrol-2-yl)-
CAS Number:
83286-31-1
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
IUPAC Name:
4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole
InChI:
InChI=1S/C10H14N2O/c1-10(2)7-13-9(11-10)8-5-4-6-12(8)3/h4-6H,7H2,1-3H3
InChI Key:
PPGXURQXOWOENP-UHFFFAOYSA-N
SMILES:
Cn1cccc1C1=NC(CO1)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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