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13750-68-0 | 2-Thiazolecarboxaldehyde, 4-methyl-
CAS No: 13750-68-0 Catalog No: AG0013DS MDL No:MFCD00022450
Product Description
Catalog Number:
AG0013DS
Chemical Name:
2-Thiazolecarboxaldehyde, 4-methyl-
CAS Number:
13750-68-0
Molecular Formula:
C5H5NOS
Molecular Weight:
127.1643
MDL Number:
MFCD00022450
IUPAC Name:
4-methyl-1,3-thiazole-2-carbaldehyde
InChI:
InChI=1S/C5H5NOS/c1-4-3-8-5(2-7)6-4/h2-3H,1H3
InChI Key:
NYMCQLLAIMUVSY-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)C=O
Properties
Complexity:
96.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.009g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.161g/mol
Monoisotopic Mass:
127.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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