Cinnamylphosphonic acid (E) - CAS 146404-58-2
Catalog: |
BB043404 |
Product Name: |
Cinnamylphosphonic acid (E) |
CAS: |
146404-58-2 |
Synonyms: |
Cinnamylphosphonic Acid; 3-Phenyl-2-propenylphosphonic acid; SCHEMBL5611191; SCHEMBL5611194 |
IUPAC Name: | [(E)-3-phenylprop-2-enyl]phosphonic acid |
Description: | Cinnamylphosphonic acid (E) (CAS# 146404-58-2 ) is a useful research chemical. |
Molecular Weight: | 198.16 |
Molecular Formula: | C9H11O3P |
Canonical SMILES: | C1=CC=C(C=C1)C=CCP(=O)(O)O |
InChI: | InChI=1S/C9H11O3P/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H2,10,11,12)/b7-4+ |
InChI Key: | AIWAKBITCLOITM-QPJJXVBHSA-N |
Purity: | 98 % |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 198.04458121 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.04458121 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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