4-formyl-2-hydroxybenzoic acid - CAS 51572-88-4
Catalog: |
BB064757 |
Product Name: |
4-formyl-2-hydroxybenzoic acid |
CAS: |
51572-88-4 |
Synonyms: |
4-Formyl-2-hydroxybenzoic acid; 4-Formylsalicylic acid; 4-carboxy-3-hydroxybenzaldehyde; 4-formyl salicylic acid; 4-Formyl-2-hydroxybenzoicacid |
IUPAC Name: | 4-formyl-2-hydroxybenzoic acid |
Molecular Weight: | 166.13 |
Molecular Formula: | C8H6O4 |
Canonical SMILES: | C1=CC(=C(C=C1C=O)O)C(=O)O |
InChI: | InChI=1S/C8H6O4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-4,10H,(H,11,12) |
InChI Key: | JQSSYLDZHAPSJO-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P313, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.02660867 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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