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1851853-12-7 | ethyl 3-(1,3-thiazol-4-yl)prop-2-ynoate
CAS No: 1851853-12-7 Catalog No: AG01DRE5 MDL No:MFCD31463464
Product Description
Catalog Number:
AG01DRE5
Chemical Name:
ethyl 3-(1,3-thiazol-4-yl)prop-2-ynoate
CAS Number:
1851853-12-7
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD31463464
IUPAC Name:
ethyl 3-(1,3-thiazol-4-yl)prop-2-ynoate
InChI:
InChI=1S/C8H7NO2S/c1-2-11-8(10)4-3-7-5-12-6-9-7/h5-6H,2H2,1H3
InChI Key:
CXLHIMALAZSGFR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C#Cc1cscn1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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