699-95-6 Purity
97.0%(GC)
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Specification
The molecular formula is C9H12O2.
The IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid.
The InChI is InChI=1S/C9H12O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2,(H,10,11)/t6-,7+,8+/m0/s1.
The InChIKey is HRVGJQMCNYJEHM-XLPZGREQSA-N.
The canonical SMILES is C1C2CC(C1C=C2)CC(=O)O.
The isomeric SMILES is C1[C@H]2C[C@@H]([C@@H]1C=C2)CC(=O)O.
The molecular weight is 152.19 g/mol.
The XLogP3-AA value is 1.6.
It has 1 hydrogen bond donor count.
It has 2 hydrogen bond acceptor counts.