2,3-Dimethylbenzaldehyde - CAS 5779-93-1
Catalog: |
BB029827 |
Product Name: |
2,3-Dimethylbenzaldehyde |
CAS: |
5779-93-1 |
Synonyms: |
2,3-dimethylbenzaldehyde; 2,3-dimethylbenzaldehyde |
IUPAC Name: | 2,3-dimethylbenzaldehyde |
Description: | The major component of the umbel rays oil. |
Molecular Weight: | 134.18 |
Molecular Formula: | C9H10O |
Canonical SMILES: | CC1=CC=CC(=C1C)C=O |
InChI: | InChI=1S/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H3 |
InChI Key: | UIFVCPMLQXKEEU-UHFFFAOYSA-N |
Boiling Point: | 86-88 °C / 10 mmHg (lit.) |
Density: | 1.029 g/mL at 25 °C(lit.) |
MDL: | MFCD00798004 |
LogP: | 2.11590 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P321, P332+P313, and P362 |
Signal Word: | Warning |
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Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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