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3-methoxy-2-pent-1-ynyl-benzoic acid

3-methoxy-2-pent-1-ynyl-benzoic acid

Systemtic Name:3-methoxy-2-pent-1-ynyl-benzoic acid
Openeye Name:3-methoxy-2-pent-1-ynyl-benzoic acid
CAS Name:3-methoxy-2-pent-1-ynylbenzoic acid
IUPAC Name:3-methoxy-2-pent-1-ynylbenzoic acid
Traditional Name:3-methoxy-2-pent-1-ynyl-benzoic acid
Formula: C13H14O3
MolecularWeight: 218.24846
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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C=CC=C1OC)C(=O)O


Isomeric SMILES

CCCC#CC1=C(C=CC=C1OC)C(=O)O


InChI

InChI=1S/C13H14O3/c1-3-4-5-7-10-11(13(14)15)8-6-9-12(10)16-2/h6,8-9H,3-4H2,1-2H3,(H,14,15)


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