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4-(oxan-2-ylmethyl)benzoic acid

4-(oxan-2-ylmethyl)benzoic acid

Systemtic Name:4-(oxan-2-ylmethyl)benzoic acid
Openeye Name:4-(tetrahydropyran-2-ylmethyl)benzoic acid
CAS Name:4-(2-oxanylmethyl)benzoic acid
IUPAC Name:4-(oxan-2-ylmethyl)benzoic acid
Traditional Name:4-(tetrahydropyran-2-ylmethyl)benzoic acid
Formula: C13H16O3
MolecularWeight: 220.26434
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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

C1CCOC(C1)CC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C13H16O3/c14-13(15)11-6-4-10(5-7-11)9-12-3-1-2-8-16-12/h4-7,12H,1-3,8-9H2,(H,14,15)


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