4-[(3-Carboxypropyl)amino]benzoic acid - CAS 86364-50-3
Catalog: |
BB070637 |
Product Name: |
4-[(3-Carboxypropyl)amino]benzoic acid |
CAS: |
86364-50-3 |
Synonyms: |
4-[(3-CARBOXYPROPYL)AMINO]BENZOIC ACID; 4-(3-carboxypropylamino)benzoic acid; 4-[(3-CARBOXYPROPYL)AMINO]BENZOICACID |
IUPAC Name: | 4-(3-carboxypropylamino)benzoic acid |
Description: | 4-[(3-Carboxypropyl)amino]benzoic acid |
Molecular Weight: | 223.23 |
Molecular Formula: | C11H13NO4 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)O)NCCCC(=O)O |
InChI: | InChI=1S/C11H13NO4/c13-10(14)2-1-7-12-9-5-3-8(4-6-9)11(15)16/h3-6,12H,1-2,7H2,(H,13,14)(H,15,16) |
InChI Key: | PJLWLUKAGLDSHV-UHFFFAOYSA-N |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0844579 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 86.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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