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850349-44-9 | 4H-Pyrano[4,3-d]thiazole-2-acetonitrile,6,7-dihydro-
CAS No: 850349-44-9 Catalog No: AG008GZ9 MDL No:MFCD06657758
Product Description
Catalog Number:
AG008GZ9
Chemical Name:
4H-Pyrano[4,3-d]thiazole-2-acetonitrile,6,7-dihydro-
CAS Number:
850349-44-9
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
MDL Number:
MFCD06657758
IUPAC Name:
2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)acetonitrile
InChI:
InChI=1S/C8H8N2OS/c9-3-1-8-10-6-2-4-11-5-7(6)12-8/h1-2,4-5H2
InChI Key:
VAJLRWYUKKSNHZ-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c(s1)COCC2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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