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30006-03-2,MFCD00159542
Catalog No.:AA003IVS
30006-03-2 | 3-Benzoyl-2-thiophenecarboxylic acid
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250mg
96%
1 week  
$339.00   $237.00
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Technical Information
Catalog Number:
AA003IVS
Chemical Name:
3-Benzoyl-2-thiophenecarboxylic acid
CAS Number:
30006-03-2
Molecular Formula:
C12H8O3S
Molecular Weight:
232.2551
MDL Number:
MFCD00159542
IUPAC Name:
3-benzoylthiophene-2-carboxylic acid
InChI:
InChI=1S/C12H8O3S/c13-10(8-4-2-1-3-5-8)9-6-7-16-11(9)12(14)15/h1-7H,(H,14,15)
InChI Key:
ZKHLBCVFVQJMBT-UHFFFAOYSA-N
SMILES:
OC(=O)c1sccc1C(=O)c1ccccc1
UNII:
Q4K02HKZ9P
NSC Number:
241104
Properties
Computed Properties
 
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.019g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.253g/mol
Monoisotopic Mass:
232.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
3-Benzoyl-2-thiophenecarboxylic acid 
30006-03-2 
ACMC-1CR5J 
AC1L7S1S 
SCHEMBL580801 
CTK1C4473 
DTXSID30184084 
ZKHLBCVFVQJMBT-UHFFFAOYSA-N 
ACT09504 
ZINC1763566 
ANW-66484 
2-Thiophenecarboxylicacid, 3-benzoyl- 
3-benzoylthiophene-2-carboxylic acid 
3-benzoyl-thiophene-2-carboxylic acid 
AKOS016004634 
AC-6565 
AN-9869 
CB-3076 
MCULE-3564321576 
NSC-241104 
VT20197 
2-Thiophenecarboxylic acid, 3-benzoyl- 
AJ-31612 
NSC241104 
AS-38474 
CC-14272 
SC-25808 
AB0006071 
AX8000974 
DB-012667 
TC-061322 
A5546 
FT-0638901 
A-2311 
UNII-Q4K02HKZ9P 
3-benzoyl-2-thiophenecarboxylic acid, AldrichCPR 
C-13576 
S14-2560 
CID315607 
Q4K02HKZ9P 
MFCD00159542 
Q-102488 
3-Benzoyl-2-thiophenecarboxylicacid 
NSC 241104 
Literature
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