4-Carbomethoxysalicylaldehyde - CAS 24589-98-8
Catalog: |
BB070618 |
Product Name: |
4-Carbomethoxysalicylaldehyde |
CAS: |
24589-98-8 |
Synonyms: |
methyl 4-formyl-3-hydroxybenzoate; 4-Carbomethoxysalicylaldehyde; Benzoic acid, 4-formyl-3-hydroxy-, methyl ester; methyl4-formyl-3-hydroxybenzoate; Methyl 3-hydroxy-4-formylbenzoate |
IUPAC Name: | methyl 4-formyl-3-hydroxybenzoate |
Molecular Weight: | 180.16 |
Molecular Formula: | C9H8O4 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)C=O)O |
InChI: | InChI=1S/C9H8O4/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-5,11H,1H3 |
InChI Key: | OMCTZIDLDSYPOA-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.04225873 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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