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108124-17-0,MFCD00221070
Catalog No.:AA003HL4
108124-17-0 | 2-Methyl-5-phenylfuran-3-carboxylic acid
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1g
1 week  
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5g
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10g
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HL4
Chemical Name:
2-Methyl-5-phenylfuran-3-carboxylic acid
CAS Number:
108124-17-0
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
MDL Number:
MFCD00221070
IUPAC Name:
2-methyl-5-phenylfuran-3-carboxylic acid
InChI:
InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChI Key:
VLMNACSEESRUAK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(oc1C)c1ccccc1
Properties
Computed Properties
 
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.063g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.209g/mol
Monoisotopic Mass:
202.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
2-Methyl-5-phenyl-3-furoic acid 
2-methyl-5-phenylfuran-3-carboxylic acid 
AC1Q2EIC 
Maybridge1_002369 
CBMicro_037931 
Cambridge id 5930829 
DivK1c_001121 
SCHEMBL557753 
CTK4A5866 
GTPL10249 
HMS548D15 
DTXSID30353051 
108124-17-0 
VLMNACSEESRUAK-UHFFFAOYSA-N 
ZINC158808 
SBB005426 
STK733521 
AKOS003666425 
FS-1464 
MCULE-8814346306 
RP04358 
SDCCGMLS-0065984.P001 
KS-0000257H 
3-Furancarboxylic acid, 2-methyl-5-phenyl- 
2-methyl-5-phenyl-3-furancarboxylic acid 
ST095658 
BIM-0037829.P001 
2-methyl-5-phenyl-furan-3-carboxylic acid 
DB-040812 
RT-007914 
FT-0612988 
Y6990 
AG-205/40042783 
SR-01000509732 
MFCD00221070 
SR-01000509732-1 
W-204655 
2-methyl-5-phenylfuran-3-carboxylic acid, AldrichCPR 
Z57189361 
I14-106915 
2D2 
C12H10O3 
CID736516 
3-Furancarboxylic acid,2-methyl-5-phenyl- 
Jedi1 
CDS1_000081 
AC1LEIAV 
ACMC-1BPTP 
Literature
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