2-Butyl-4,6-dihydroxybenzaldehyde - CAS 2167104-47-2
Catalog: |
BB072870 |
Product Name: |
2-Butyl-4,6-dihydroxybenzaldehyde |
CAS: |
2167104-47-2 |
Synonyms: |
2-butyl-4,6-dihydroxybenzaldehyde |
IUPAC Name: | 2-butyl-4,6-dihydroxybenzaldehyde |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | CCCCC1=C(C(=CC(=C1)O)O)C=O |
InChI: | InChI=1S/C11H14O3/c1-2-3-4-8-5-9(13)6-11(14)10(8)7-12/h5-7,13-14H,2-4H2,1H3 |
InChI Key: | YADNRJHXFABCIO-UHFFFAOYSA-N |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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