3-Acetamidonaphthoic acid - CAS 19717-59-0
Catalog: |
BB075590 |
Product Name: |
3-Acetamidonaphthoic acid |
CAS: |
19717-59-0 |
Synonyms: |
3-(acetylamino)-2-naphthoic acid; 3-Acetamido-2-naphthoic acid; 3-acetamidonaphthalene-2-carboxylic Acid; 3-(ACETYLAMINO)-2-NAPHTHOICACID; 3-Acetamido-2-naphthoicacid |
IUPAC Name: | 3-acetamidonaphthalene-2-carboxylic acid |
Description: | 3-Acetamidonaphthoic acid |
Molecular Weight: | 229.23 |
Molecular Formula: | C13H11NO3 |
Canonical SMILES: | CC(=O)NC1=CC2=CC=CC=C2C=C1C(=O)O |
InChI: | InChI=1S/C13H11NO3/c1-8(15)14-12-7-10-5-3-2-4-9(10)6-11(12)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17) |
InChI Key: | FHXRDNPWHSTOGC-UHFFFAOYSA-N |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.07389321 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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