915923-48-7 Purity
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Specification
The molecular formula of Chembrdg-bb 9071649 is C12H14O4.
Chembrdg-bb 9071649 was created on 2009-05-28 and modified on 2023-12-30.
The IUPAC name of Chembrdg-bb 9071649 is (2-ethoxy-5-formylphenyl)methyl acetate.
The InChI of Chembrdg-bb 9071649 is InChI=1S/C12H14O4/c1-3-15-12-5-4-10(7-13)6-11(12)8-16-9(2)14/h4-7H,3,8H2,1-2H3.
The InChIKey of Chembrdg-bb 9071649 is VFSCOQZLSGLLFQ-UHFFFAOYSA-N.
The Canonical SMILES of Chembrdg-bb 9071649 is CCOC1=C(C=C(C=C1)C=O)COC(=O)C.
The molecular weight of Chembrdg-bb 9071649 is 222.24 g/mol.
Chembrdg-bb 9071649 has 0 hydrogen bond donor counts.
The topological polar surface area of Chembrdg-bb 9071649 is 52.6 Å2.
Yes, the compound is Canonicalized according to PubChem.