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Home > Thiazole > 1871313-39-1
1871313-39-1 | 3-(1,2-thiazol-3-yl)prop-2-ynoic acid
CAS No: 1871313-39-1 Catalog No: AG01DRHD MDL No:MFCD31463797
Product Description
Catalog Number:
AG01DRHD
Chemical Name:
3-(1,2-thiazol-3-yl)prop-2-ynoic acid
CAS Number:
1871313-39-1
Molecular Formula:
C6H3NO2S
Molecular Weight:
153.1585
MDL Number:
MFCD31463797
IUPAC Name:
3-(1,2-thiazol-3-yl)prop-2-ynoic acid
InChI:
InChI=1S/C6H3NO2S/c8-6(9)2-1-5-3-4-10-7-5/h3-4H,(H,8,9)
InChI Key:
OHPXAAOGCJTLHR-UHFFFAOYSA-N
SMILES:
OC(=O)C#Cc1ccsn1
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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