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31815-41-5 | 3-methoxy-1,2-thiazole-4-carbonitrile
CAS No: 31815-41-5 Catalog No: AG01BXMG MDL No:MFCD19981765
Product Description
Catalog Number:
AG01BXMG
Chemical Name:
3-methoxy-1,2-thiazole-4-carbonitrile
CAS Number:
31815-41-5
Molecular Formula:
C5H4N2OS
Molecular Weight:
140.1631
MDL Number:
MFCD19981765
IUPAC Name:
3-methoxy-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C5H4N2OS/c1-8-5-4(2-6)3-9-7-5/h3H,1H3
InChI Key:
FVTFSBZMBYIZNA-UHFFFAOYSA-N
SMILES:
COc1nscc1C#N
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.16g/mol
Monoisotopic Mass:
140.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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