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88511-33-5 | 4-Methylisothiazole-5-carbaldehyde
CAS No: 88511-33-5 Catalog No: AG0048KB MDL No:MFCD09996931
Product Description
Catalog Number:
AG0048KB
Chemical Name:
4-Methylisothiazole-5-carbaldehyde
CAS Number:
88511-33-5
Molecular Formula:
C5H5NOS
Molecular Weight:
127.1643
MDL Number:
MFCD09996931
IUPAC Name:
4-methyl-1,2-thiazole-5-carbaldehyde
InChI:
InChI=1S/C5H5NOS/c1-4-2-6-8-5(4)3-7/h2-3H,1H3
InChI Key:
MMABGRJFGBUSEF-UHFFFAOYSA-N
SMILES:
Cc1cnsc1C=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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