2-Chlorocinnamic Acid - CAS 3752-25-8
Catalog: |
BB023318 |
Product Name: |
2-Chlorocinnamic Acid |
CAS: |
3752-25-8 |
Synonyms: |
(E)-3-(2-chlorophenyl)-2-propenoic acid; (E)-3-(2-chlorophenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(2-chlorophenyl)prop-2-enoic acid |
Description: | 2-Chlorocinnamic Acid (CAS# 3752-25-8) is a useful research chemical. |
Molecular Weight: | 182.60 |
Molecular Formula: | C9H7ClO2 |
Canonical SMILES: | C1=CC=C(C(=C1)C=CC(=O)O)Cl |
InChI: | InChI=1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+ |
InChI Key: | KJRRTHHNKJBVBO-AATRIKPKSA-N |
Boiling Point: | 321.6 °C at 760 mmHg |
Density: | 1.332 g/cm3 |
LogP: | 2.43780 |
GHS Hazard Statement: | H302 (100%): 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, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 182.0134572 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0134572 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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