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16378-06-6 | 3-Thiophenepropanoic acid
CAS No: 16378-06-6 Catalog No: AG001UE2 MDL No:MFCD06655385
Product Description
Catalog Number:
AG001UE2
Chemical Name:
3-Thiophenepropanoic acid
CAS Number:
16378-06-6
Molecular Formula:
C7H8O2S
Molecular Weight:
156.2022
MDL Number:
MFCD06655385
IUPAC Name:
3-thiophen-3-ylpropanoic acid
InChI:
InChI=1S/C7H8O2S/c8-7(9)2-1-6-3-4-10-5-6/h3-5H,1-2H2,(H,8,9)
InChI Key:
YUSDDNTYMDWOCY-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cscc1
NSC Number:
109407
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.199g/mol
Monoisotopic Mass:
156.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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