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763109-71-3 | 5-(Thiophen-2-yl);isoxazole-3-carboxylic acid
CAS No: 763109-71-3 Catalog No: AG003M48 MDL No:MFCD04113955
Product Description
Catalog Number:
AG003M48
Chemical Name:
5-(Thiophen-2-yl);isoxazole-3-carboxylic acid
CAS Number:
763109-71-3
Molecular Formula:
C8H5NO3S
Molecular Weight:
195.1952
MDL Number:
MFCD04113955
IUPAC Name:
5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C8H5NO3S/c10-8(11)5-4-6(12-9-5)7-2-1-3-13-7/h1-4H,(H,10,11)
InChI Key:
OBTRHBQUXRJHJR-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(c1)c1cccs1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.192g/mol
Monoisotopic Mass:
194.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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