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2-(hydroxymethyl)-1,3-thiazole-4-carboxylic acid

2-(hydroxymethyl)-1,3-thiazole-4-carboxylic acid

CAS: 221322-09-4

Formula: C5H5NO3S

SMILES: OCC1=NC(=CS1)C(O)=O

IUPAC: 2-(hydroxymethyl)-1,3-thiazole-4-carboxylic acid

InChI: InChI=1S/C5H5NO3S/c7-1-4-6-3(2-10-4)5(8)9/h2,7H,1H2,(H,8,9)

Composition: C (37.73%), H (3.17%), N (8.80%), O (30.16%), S (20.14%)

Molar Mass: 159.16

Atom Count: 15

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 158.999014199
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YCWNCBVSNHZJMF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.29
Topological Polar Surface Area 70.42
Polarizability 13.15
Ring Count 1
Rotatable Bond Count 2

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