3-Amino-5-(3,4-methylenedioxyphenyl)benzoic Acid - CAS 1261906-95-9
Catalog: |
BB074406 |
Product Name: |
3-Amino-5-(3,4-methylenedioxyphenyl)benzoic Acid |
CAS: |
1261906-95-9 |
Synonyms: |
3-Amino-5-(3,4-methylenedioxyphenyl)benzoic acid; 3-amino-5-(1,3-benzodioxol-5-yl)benzoic acid; 3-Amino-5-(benzo[d][1,3]dioxol-5-yl)benzoic acid; 3-Amino-5-(2H-1,3-benzodioxol-5-yl)benzoic acid |
IUPAC Name: | 3-amino-5-(1,3-benzodioxol-5-yl)benzoic acid |
Description: | 3-Amino-5-(3,4-methylenedioxyphenyl)benzoic acid |
Molecular Weight: | 257.24 |
Molecular Formula: | C14H11NO4 |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)C3=CC(=CC(=C3)N)C(=O)O |
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 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.06880783 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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