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1014630-98-8 | 5-Thiazolecarboxylic acid, 2-(2-pyrimidinyl)-
CAS No: 1014630-98-8 Catalog No: AG0004IK MDL No:MFCD12093747
Product Description
Catalog Number:
AG0004IK
Chemical Name:
5-Thiazolecarboxylic acid, 2-(2-pyrimidinyl)-
CAS Number:
1014630-98-8
Molecular Formula:
C8H5N3O2S
Molecular Weight:
207.2092
MDL Number:
MFCD12093747
IUPAC Name:
2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C8H5N3O2S/c12-8(13)5-4-11-7(14-5)6-9-2-1-3-10-6/h1-4H,(H,12,13)
InChI Key:
LRXDMOYYUDZFCC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(s1)c1ncccn1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.207g/mol
Monoisotopic Mass:
207.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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