N-(2,5-Dimethoxyphenyl)-3-oxobutanamide - CAS 6375-27-5
Catalog: |
BB032260 |
Product Name: |
N-(2,5-Dimethoxyphenyl)-3-oxobutanamide |
CAS: |
6375-27-5 |
Synonyms: |
N-(2,5-dimethoxyphenyl)-3-oxobutanamide; N-(2,5-dimethoxyphenyl)-3-oxobutanamide |
IUPAC Name: | N-(2,5-dimethoxyphenyl)-3-oxobutanamide |
Description: | N-(2,5-Dimethoxyphenyl)-3-oxobutanamide (CAS# 6375-27-5 ) is a useful research chemical. |
Molecular Weight: | 237.25 |
Molecular Formula: | C12H15NO4 |
Canonical SMILES: | CC(=O)CC(=O)NC1=C(C=CC(=C1)OC)OC |
InChI: | InChI=1S/C12H15NO4/c1-8(14)6-12(15)13-10-7-9(16-2)4-5-11(10)17-3/h4-5,7H,6H2,1-3H3,(H,13,15) |
InChI Key: | PJFIAKRRJLGWMD-UHFFFAOYSA-N |
Boiling Point: | 410 °C at 760 mmHg |
Density: | 1.182 g/cm3 |
MDL: | MFCD00043930 |
LogP: | 1.69440 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.10010796 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 64.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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