3-methyladipic acid

• 3-methyladipic acid
• bmse000619 - data

InCHi String:
InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m1/s1

canonical SMILES:
CC(CCC(=O)O)CC(=O)O
isomeric SMILES:
C[C@H](CCC(=O)O)CC(=O)O


PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(3R)-3-methylhexanedioic acid

PUBCHEM iupac TRADITIONAL NAME
(3R)-3-methyladipic acid



PubChem Substance (SID):   111677762   30082025   24896759
PubChem Compound (CID):   2723701
KEGG: Compound ID   M27387_ALDRICH
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich M27387_ALDRICH   ChemSpider 2005900   MMCD cq_10685   MDL MFCD00063200