4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic Acid - CAS 6566-40-1
Catalog: |
BB076490 |
Product Name: |
4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic Acid |
CAS: |
6566-40-1 |
Synonyms: |
4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid; 4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid; 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-; 2-carboxy-4-tetralone |
IUPAC Name: | 4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid |
Description: | 4-OXO-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID (cas# 6566-40-1) is a useful research chemical. |
Molecular Weight: | 190.19 |
Molecular Formula: | C11H10O3 |
Canonical SMILES: | C1C(CC(=O)C2=CC=CC=C21)C(=O)O |
InChI: | InChI=1S/C11H10O3/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-4,8H,5-6H2,(H,13,14) |
InChI Key: | UYNMKOITXUEVCZ-UHFFFAOYSA-N |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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