CAS
96-61-7 Purity
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96-61-7 Purity
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Specification
The molecular formula is C11H12O4.
It was created on August 8, 2005.
The InChIKey is YOAIHTMTCQXBPI-UHFFFAOYSA-N.
It has 4 hydrogen bond acceptor counts.
The XLogP3 value is 2.4.
It has 5 rotatable bond counts.
The topological polar surface area is 55.8 Ų.
No, it has 0 defined atom stereocenter counts.
There are 15 heavy atoms in the compound.
Yes, it is a canonicalized compound according to PubChem.