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68981-86-2 | 4,5-DIHYDRO-4,4-DIMETHYL-2-(3-PYRIDYL)OXAZOLE
CAS No: 68981-86-2 Catalog No: AG00FB4H MDL No:MFCD01313220
Product Description
Catalog Number:
AG00FB4H
Chemical Name:
4,5-DIHYDRO-4,4-DIMETHYL-2-(3-PYRIDYL)OXAZOLE
CAS Number:
68981-86-2
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD01313220
IUPAC Name:
4,4-dimethyl-2-pyridin-3-yl-5H-1,3-oxazole
InChI:
InChI=1S/C10H12N2O/c1-10(2)7-13-9(12-10)8-4-3-5-11-6-8/h3-6H,7H2,1-2H3
InChI Key:
XYABHURTMBEOGW-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)c1cccnc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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