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774239-03-1 | 4-FORMYL-2-(HYDROXYMETHYL)THIAZOLE
CAS No: 774239-03-1 Catalog No: AG00G2L2 MDL No:
Product Description
Catalog Number:
AG00G2L2
Chemical Name:
4-FORMYL-2-(HYDROXYMETHYL)THIAZOLE
CAS Number:
774239-03-1
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
IUPAC Name:
2-(hydroxymethyl)-1,3-thiazole-4-carbaldehyde
InChI:
InChI=1S/C5H5NO2S/c7-1-4-3-9-5(2-8)6-4/h1,3,8H,2H2
InChI Key:
NDRDKDPVRCEBSU-UHFFFAOYSA-N
SMILES:
OCc1scc(n1)C=O
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.16g/mol
Monoisotopic Mass:
143.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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