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Home Other Building Blocks 3-Amino-5-(3,4-methylenedioxyphenyl)benzoic acid

3-Amino-5-(3,4-methylenedioxyphenyl)benzoic acid

CAS No.:
1261906-95-9
Catalog Number:
AG000S5D
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$188
- +
1g
95%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG000S5D
Chemical Name:
3-Amino-5-(3,4-methylenedioxyphenyl)benzoic acid
CAS Number:
1261906-95-9
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
MDL Number:
MFCD18320298
IUPAC Name:
3-amino-5-(1,3-benzodioxol-5-yl)benzoic acid
InChI:
InChI=1S/C14H11NO4/c15-11-4-9(3-10(5-11)14(16)17)8-1-2-12-13(6-8)19-7-18-12/h1-6H,7,15H2,(H,16,17)
InChI Key:
PGGHLIXPLNWTIK-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)C(=O)O)c1ccc2c(c1)OCO2
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties