Name: Name:2-({[3-(methoxycarbonyl)furan-2-yl]methyl}sulfanyl)benzoic acid
Brand: Angene
SKU: AG019VW6
Rating: 90 (10 reviews)

2-({[3-(methoxycarbonyl)furan-2-yl]methyl}sulfanyl)benzoic acid

CAS No.:

949297-71-6

Catalog Number:

AG019VW6

Molecular Formula:

C14H12O5S

Molecular Weight:

292.3071

Catalog Number:

AG019VW6

Chemical Name:

2-({[3-(methoxycarbonyl)furan-2-yl]methyl}sulfanyl)benzoic acid

CAS Number:

949297-71-6

Molecular Formula:

C14H12O5S

Molecular Weight:

292.3071

MDL Number:

MFCD10491154

IUPAC Name:

2-[(3-methoxycarbonylfuran-2-yl)methylsulfanyl]benzoic acid

InChI:

InChI=1S/C14H12O5S/c1-18-14(17)9-6-7-19-11(9)8-20-12-5-3-2-4-10(12)13(15)16/h2-7H,8H2,1H3,(H,15,16)

InChI Key:

HDMUVDBJZYXSFT-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccoc1CSc1ccccc1C(=O)O

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

292.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

292.305g/mol

Monoisotopic Mass:

292.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4