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1343385-23-8

1343385-23-8 | METHYL 3-(1,3-THIAZOL-4-YL)PROP-2-YNOATE

CAS No: 1343385-23-8 Catalog No: AG01DREL MDL No:MFCD20347232

Product Description

Catalog Number:
AG01DREL
Chemical Name:
METHYL 3-(1,3-THIAZOL-4-YL)PROP-2-YNOATE
CAS Number:
1343385-23-8
Molecular Formula:
C7H5NO2S
Molecular Weight:
167.1851
MDL Number:
MFCD20347232
IUPAC Name:
methyl 3-(1,3-thiazol-4-yl)prop-2-ynoate
InChI:
InChI=1S/C7H5NO2S/c1-10-7(9)3-2-6-4-11-5-8-6/h4-5H,1H3
InChI Key:
AVNFQIJGXOMFDP-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1cscn1

Properties

Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.182g/mol
Monoisotopic Mass:
167.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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