CAS
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Specification
The molecular formula is C10H10O3.
The molecular weight is 178.18 g/mol.
The IUPAC name is 2-prop-2-enoxybenzoic acid.
The InChI is InChI=1S/C10H10O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2,(H,11,12).
The InChIKey is XPWMIGFSEWFXEZ-UHFFFAOYSA-N.
There is 1 hydrogen bond donor count.
There are 3 hydrogen bond acceptor counts.
The topological polar surface area is 46.5 Ų.
There are 4 rotatable bond counts.
Yes, the compound is canonicalized.