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35544-51-5 | dimethoxy-1,2-thiazole-4-carbonitrile
CAS No: 35544-51-5 Catalog No: AG01EJSQ MDL No:MFCD31615715
Product Description
Catalog Number:
AG01EJSQ
Chemical Name:
dimethoxy-1,2-thiazole-4-carbonitrile
CAS Number:
35544-51-5
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
MDL Number:
MFCD31615715
IUPAC Name:
3,5-dimethoxy-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C6H6N2O2S/c1-9-5-4(3-7)6(10-2)11-8-5/h1-2H3
InChI Key:
ASCJUJNQXUXUHF-UHFFFAOYSA-N
SMILES:
N#Cc1c(OC)snc1OC
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.186g/mol
Monoisotopic Mass:
170.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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