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1256240-34-2 | 4-Thiazolecarboxylic acid, 2-(hydroxymethyl)-, methyl ester
CAS No: 1256240-34-2 Catalog No: AG000NYN MDL No:MFCD20924036
Product Description
Catalog Number:
AG000NYN
Chemical Name:
4-Thiazolecarboxylic acid, 2-(hydroxymethyl)-, methyl ester
CAS Number:
1256240-34-2
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
MDL Number:
MFCD20924036
IUPAC Name:
methyl 2-(hydroxymethyl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C6H7NO3S/c1-10-6(9)4-3-11-5(2-8)7-4/h3,8H,2H2,1H3
InChI Key:
JMTCSMYSZIQXSC-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc(n1)CO
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.186g/mol
Monoisotopic Mass:
173.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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