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Home Carbonyls 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoic acid

2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoic acid

CAS No.:
568555-82-8
Catalog Number:
AG00IA4Y
Molecular Formula:
C16H12O5
Molecular Weight:
284.2635
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Product Description
Catalog Number:
AG00IA4Y
Chemical Name:
2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoic acid
CAS Number:
568555-82-8
Molecular Formula:
C16H12O5
Molecular Weight:
284.2635
MDL Number:
MFCD03982033
IUPAC Name:
2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoic acid
InChI:
InChI=1S/C16H12O5/c17-15(11-3-1-2-4-12(11)16(18)19)10-5-6-13-14(9-10)21-8-7-20-13/h1-6,9H,7-8H2,(H,18,19)
InChI Key:
RDAMIKQPKPXITI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1ccc2c(c1)OCCO2
Properties
Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.068g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.267g/mol
Monoisotopic Mass:
284.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties