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403611-87-0 | 2-[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]acetonitrile
CAS No: 403611-87-0 Catalog No: AG01A9Z6 MDL No:MFCD09883483
Product Description
Catalog Number:
AG01A9Z6
Chemical Name:
2-[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]acetonitrile
CAS Number:
403611-87-0
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
MDL Number:
MFCD09883483
IUPAC Name:
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
InChI:
InChI=1S/C10H8N2OS/c1-7-8(4-5-11)12-10(13-7)9-3-2-6-14-9/h2-3,6H,4H2,1H3
InChI Key:
KOYCQWXFCNCUSM-UHFFFAOYSA-N
SMILES:
N#CCc1nc(oc1C)c1cccs1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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