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2059945-05-8 | 2-(2-methoxypropan-2-yl)-1,3-oxazole-4-carbonitrile
CAS No: 2059945-05-8 Catalog No: AG01BOAV MDL No:MFCD30498898
Product Description
Catalog Number:
AG01BOAV
Chemical Name:
2-(2-methoxypropan-2-yl)-1,3-oxazole-4-carbonitrile
CAS Number:
2059945-05-8
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD30498898
IUPAC Name:
2-(2-methoxypropan-2-yl)-1,3-oxazole-4-carbonitrile
InChI:
InChI=1S/C8H10N2O2/c1-8(2,11-3)7-10-6(4-9)5-12-7/h5H,1-3H3
InChI Key:
QQZOFVPWLKBISK-UHFFFAOYSA-N
SMILES:
COC(c1occ(n1)C#N)(C)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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