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Home > Thiazole > 1343214-70-9
1343214-70-9 | 3-(1,3-thiazol-4-yl)prop-2-ynoic acid
CAS No: 1343214-70-9 Catalog No: AG00KBGY MDL No:MFCD20347402
Product Description
Catalog Number:
AG00KBGY
Chemical Name:
3-(1,3-thiazol-4-yl)prop-2-ynoic acid
CAS Number:
1343214-70-9
Molecular Formula:
C6H3NO2S
Molecular Weight:
153.1585
MDL Number:
MFCD20347402
IUPAC Name:
3-(1,3-thiazol-4-yl)prop-2-ynoic acid
InChI:
InChI=1S/C6H3NO2S/c8-6(9)2-1-5-3-10-4-7-5/h3-4H,(H,8,9)
InChI Key:
DWYFNEAPVSJXLT-UHFFFAOYSA-N
SMILES:
OC(=O)C#Cc1cscn1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.988g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.155g/mol
Monoisotopic Mass:
152.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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