200,000+ products from a single source!
sales@angenechem.com
1261906-95-9 | Benzoic acid, 3-amino-5-(1,3-benzodioxol-5-yl)-
CAS No: 1261906-95-9 Catalog No: AG000S5D MDL No:MFCD18320298
Product Description
Catalog Number:
AG000S5D
Chemical Name:
Benzoic acid, 3-amino-5-(1,3-benzodioxol-5-yl)-
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.