1-phenyl-1H-pyrrole-2-carboxylic acid - CAS 78540-03-1
Catalog: |
BB054120 |
Product Name: |
1-phenyl-1H-pyrrole-2-carboxylic acid |
CAS: |
78540-03-1 |
Synonyms: |
1H-Pyrrole-2-carboxylic acid, 1-phenyl- |
IUPAC Name: | 1-phenylpyrrole-2-carboxylic acid |
Molecular Weight: | 187.19 |
Molecular Formula: | C11H9NO2 |
Canonical SMILES: | C1=CC=C(C=C1)N2C=CC=C2C(=O)O |
InChI: | InChI=1S/C11H9NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h1-8H,(H,13,14) |
InChI Key: | GMLCQPJLSFPJMX-UHFFFAOYSA-N |
Boiling Point: | 373.9°C at 760 mmHg |
Density: | 1.18 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.06332853 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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