Home Carbonyls 3-(furan-2-carbonylamino)-4-methylbenzoic acid

3-(furan-2-carbonylamino)-4-methylbenzoic acid

CAS No.:
380432-20-2
Catalog Number:
AG00I7HP
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
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Product Description
Catalog Number:
AG00I7HP
Chemical Name:
3-(furan-2-carbonylamino)-4-methylbenzoic acid
CAS Number:
380432-20-2
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
MDL Number:
MFCD03150776
IUPAC Name:
3-(furan-2-carbonylamino)-4-methylbenzoic acid
InChI:
InChI=1S/C13H11NO4/c1-8-4-5-9(13(16)17)7-10(8)14-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChI Key:
UAYLOXAZFQONER-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1NC(=O)c1ccco1)C(=O)O
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties