4-(Carboxymethoxy)-3-chloro-5-methoxybenzoic acid - CAS 838263-66-4
Catalog: |
BB042733 |
Product Name: |
4-(Carboxymethoxy)-3-chloro-5-methoxybenzoic acid |
CAS: |
838263-66-4 |
Synonyms: |
CTK6J6543; ZINC2886325; SBB023637 |
IUPAC Name: | 4-(carboxymethoxy)-3-chloro-5-methoxybenzoic acid |
Description: | 4-(Carboxymethoxy)-3-chloro-5-methoxybenzoic acid (CAS# 838263-66-4 ) is a useful research chemical. |
Molecular Weight: | 260.63 |
Molecular Formula: | C10H9ClO6 |
Canonical SMILES: | COC1=C(C(=CC(=C1)C(=O)O)Cl)OCC(=O)O |
InChI: | InChI=1S/C10H9ClO6/c1-16-7-3-5(10(14)15)2-6(11)9(7)17-4-8(12)13/h2-3H,4H2,1H3,(H,12,13)(H,14,15) |
InChI Key: | LKXKBPMKWASUNB-UHFFFAOYSA-N |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.0087657 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.0087657 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 93.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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