4-Benzyloxy-3-methoxyphenylacetic acid - CAS 29973-91-9
Catalog: |
BB020399 |
Product Name: |
4-Benzyloxy-3-methoxyphenylacetic acid |
CAS: |
29973-91-9 |
Synonyms: |
2-(3-methoxy-4-phenylmethoxyphenyl)acetic acid |
IUPAC Name: | 2-(3-methoxy-4-phenylmethoxyphenyl)acetic acid |
Description: | 4-Benzyloxy-3-methoxyphenylacetic acid (CAS# 29973-91-9) is a reactant in the synthesis of (+)- and (-)-govadine, which are dopamine D1 and D2 receptor modulators. |
Molecular Weight: | 272.30 |
Molecular Formula: | C16H16O4 |
Canonical SMILES: | COC1=C(C=CC(=C1)CC(=O)O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C16H16O4/c1-19-15-9-13(10-16(17)18)7-8-14(15)20-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,17,18) |
InChI Key: | AYCIHUSEBJLTBF-UHFFFAOYSA-N |
Boiling Point: | 440.1 °C at 760 mmHg |
Density: | 1.207 g/cm3 |
MDL: | MFCD00185562 |
LogP: | 2.90130 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
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Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.10485899 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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