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Home > Thiazole > 1699283-88-9
1699283-88-9 | methyl 3-(1,3-thiazol-5-yl)prop-2-ynoate
CAS No: 1699283-88-9 Catalog No: AG01DREQ MDL No:MFCD31463603
Product Description
Catalog Number:
AG01DREQ
Chemical Name:
methyl 3-(1,3-thiazol-5-yl)prop-2-ynoate
CAS Number:
1699283-88-9
Molecular Formula:
C7H5NO2S
Molecular Weight:
167.1851
MDL Number:
MFCD31463603
IUPAC Name:
methyl 3-(1,3-thiazol-5-yl)prop-2-ynoate
InChI:
InChI=1S/C7H5NO2S/c1-10-7(9)3-2-6-4-8-5-11-6/h4-5H,1H3
InChI Key:
GCXGVQITHVBTKM-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1cncs1
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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