CAS
93427-28-2 Purity
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93427-28-2 Purity
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Specification
The molecular formula is C8H12O2.
The molecular weight is 140.18 g/mol.
The IUPAC name is (1S,2S,4R)-bicyclo[2.2.1]heptane-2-carboxylic acid.
The InChI is InChI=1S/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,9,10)/t5-,6+,7+/m1/s1.
The InChIKey is JESWDXIHOJGWBP-VQVTYTSYSA-N.
The canonical SMILES is C1CC2CC1CC2C(=O)O.
It has 1 hydrogen bond donor count.
It has 2 hydrogen bond acceptor counts.
It has 1 rotatable bond count.
Yes, it is canonicalized.