2-Iodo-4,5-dimethoxybenzoic Acid - CAS 61203-48-3
Catalog: |
BB030997 |
Product Name: |
2-Iodo-4,5-dimethoxybenzoic Acid |
CAS: |
61203-48-3 |
Synonyms: |
2-iodo-4,5-dimethoxybenzoic acid; 2-iodo-4,5-dimethoxybenzoic acid |
IUPAC Name: | 2-iodo-4,5-dimethoxybenzoic acid |
Description: | 2-Iodo-4,5-dimethoxybenzoic Acid (CAS# 61203-48-3) is a useful research chemical. |
Molecular Weight: | 308.07 |
Molecular Formula: | C9H9IO4 |
Canonical SMILES: | COC1=C(C=C(C(=C1)C(=O)O)I)OC |
InChI: | InChI=1S/C9H9IO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12) |
InChI Key: | HLLHFIIJEOARHX-UHFFFAOYSA-N |
Boiling Point: | 367.9 °C at 760 mmHg |
Density: | 1.79 g/cm3 |
MDL: | MFCD00079751 |
LogP: | 2.00660 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021028935-A1 | Heterocyclic compounds, and their use as allosteric modulators of 5-hydroxytryptamine 2c receptor (5-ht2cr) | 20190812 |
WO-2013050938-A1 | 3,7-diazabicyclo[3.3.1]nonane and 9-oxa-3,7-diazabicyclo[3.3.1]nonane derivatives | 20111004 |
CN-102838579-A | Method for preparing 1,3,6,7-tetrahydroxy xanthone | 20110620 |
CN-102838579-B | Method for preparing 1,3,6,7-tetrahydroxy xanthone | 20110620 |
US-2013338202-A1 | Compounds for the treatment of neurodegenerative diseases | 20110303 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.95456 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.95456 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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