2-Acetyl-3-methylpyridine - CAS 85279-30-7
Catalog: |
BB037573 |
Product Name: |
2-Acetyl-3-methylpyridine |
CAS: |
85279-30-7 |
Synonyms: |
1-(3-methyl-2-pyridinyl)ethanone; 1-(3-methylpyridin-2-yl)ethanone |
IUPAC Name: | 1-(3-methylpyridin-2-yl)ethanone |
Description: | 2-Acetyl-3-methylpyridine (CAS# 85279-30-7) is a useful research chemical. |
Molecular Weight: | 135.16 |
Molecular Formula: | C8H9NO |
Canonical SMILES: | CC1=C(N=CC=C1)C(=O)C |
InChI: | InChI=1S/C8H9NO/c1-6-4-3-5-9-8(6)7(2)10/h3-5H,1-2H3 |
InChI Key: | SYISHRLXIIZBHJ-UHFFFAOYSA-N |
MDL: | MFCD08062668 |
LogP: | 1.59260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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