3-Acetyl-2-methyl-5H-[1]benzopyrano[2,3-b]pyridin-5-one - CAS 67867-47-4
Catalog: |
BB033425 |
Product Name: |
3-Acetyl-2-methyl-5H-[1]benzopyrano[2,3-b]pyridin-5-one |
CAS: |
67867-47-4 |
Synonyms: |
3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one |
IUPAC Name: | 3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one |
Description: | 3-Acetyl-2-methyl-5H-[1]benzopyrano[2,3-b]pyridin-5-one (CAS# 67867-47-4 ) is a useful research chemical. |
Molecular Weight: | 253.25 |
Molecular Formula: | C15H11NO3 |
Canonical SMILES: | CC1=C(C=C2C(=O)C3=CC=CC=C3OC2=N1)C(=O)C |
InChI: | InChI=1S/C15H11NO3/c1-8-11(9(2)17)7-12-14(18)10-5-3-4-6-13(10)19-15(12)16-8/h3-7H,1-2H3 |
InChI Key: | BSWKWHNLWRLQLZ-UHFFFAOYSA-N |
Boiling Point: | 457.6 °C at 760 mmHg |
Melting Point: | 212-214 °C(lit.) |
Purity: | 95 % |
Density: | 1.301 g/cm3 |
MDL: | MFCD00191705 |
LogP: | 2.85220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.07389321 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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