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16839-97-7

16839-97-7 | Thiophene, 2-methoxy-

CAS No: 16839-97-7 Catalog No: AG001Y1C MDL No:MFCD00014526

Product Description

Catalog Number:
AG001Y1C
Chemical Name:
Thiophene, 2-methoxy-
CAS Number:
16839-97-7
Molecular Formula:
C5H6OS
Molecular Weight:
114.1655
MDL Number:
MFCD00014526
IUPAC Name:
2-methoxythiophene
InChI:
InChI=1S/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1H3
InChI Key:
OKEHURCMYKPVFW-UHFFFAOYSA-N
SMILES:
COc1cccs1
EC Number:
240-863-2

Properties

Complexity:
56  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.014g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.162g/mol
Monoisotopic Mass:
114.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature

Title Journal
Solid phase microextraction, mass spectrometry and metabolomic approaches for detection of potential urinary cancer biomarkers--a powerful strategy for breast cancer diagnosis. Talanta 20120130

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