Methyl 4-(3-hydroxyphenyl)benzoate - CAS 579511-01-6
Catalog: |
BB029879 |
Product Name: |
Methyl 4-(3-hydroxyphenyl)benzoate |
CAS: |
579511-01-6 |
Synonyms: |
methyl 4-(3-hydroxyphenyl)benzoate |
IUPAC Name: | methyl 4-(3-hydroxyphenyl)benzoate |
Description: | Methyl 4-(3-hydroxyphenyl)benzoate (CAS# 579511-01-6) is a useful research chemical. |
Molecular Weight: | 228.24 |
Molecular Formula: | C14H12O3 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)O |
InChI: | InChI=1S/C14H12O3/c1-17-14(16)11-7-5-10(6-8-11)12-3-2-4-13(15)9-12/h2-9,15H,1H3 |
InChI Key: | LIQIQAWUDHGWSL-UHFFFAOYSA-N |
Boiling Point: | 404.8 °C at 760 mmHg |
Density: | 1.194 g/cm3 |
LogP: | 2.84580 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2003229186-A1 | Non-nucleoside reverse transcriptase inhibitors | 20020516 |
CA-2485916-C | Non-nucleoside reverse transcriptase inhibitors | 20020516 |
CN-1318421-C | Non-nucleoside reverse transcriptase inhibitors | 20020516 |
CN-1653066-A | Non-nucleoside reverse transcriptase inhibitors | 20020516 |
EA-009178-B1 | NONUCLEICID REVERSE TRANSCRIPTASE INHIBITORS | 20020516 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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