Home Carboxys 3-[(2-methylphenyl)methanesulfinylmethyl]furan-2-carboxylic acid

3-[(2-methylphenyl)methanesulfinylmethyl]furan-2-carboxylic acid

CAS No.:
1274622-84-2
Catalog Number:
AG01ACO0
Molecular Formula:
C14H14O4S
Molecular Weight:
278.3236
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Product Description
Catalog Number:
AG01ACO0
Chemical Name:
3-[(2-methylphenyl)methanesulfinylmethyl]furan-2-carboxylic acid
CAS Number:
1274622-84-2
Molecular Formula:
C14H14O4S
Molecular Weight:
278.3236
MDL Number:
MFCD17386446
IUPAC Name:
3-[(2-methylphenyl)methylsulfinylmethyl]furan-2-carboxylic acid
InChI:
InChI=1S/C14H14O4S/c1-10-4-2-3-5-11(10)8-19(17)9-12-6-7-18-13(12)14(15)16/h2-7H,8-9H2,1H3,(H,15,16)
InChI Key:
BPCVGJXNRNWWKM-UHFFFAOYSA-N
SMILES:
O=S(Cc1ccoc1C(=O)O)Cc1ccccc1C
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.061g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.322g/mol
Monoisotopic Mass:
278.061g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties