HIT ID: HIT105572996
Cas No: 913691-37-9
分子式: C13H24O5
分子量: 260.33
常用名: 3-Hydroxy-2-octylpentanedioic acid
常用名: 3-Hydroxy-2-octylpentanedioic acid
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 2.626
IUPAC: 3-hydroxy-2-octylpentanedioic acid
IUPAC: 3-hydroxy-2-octylpentanedioic acid
SMILES: CCCCCCCCC(C(O)CC(O)=O)C(O)=O
SMILES: CCCCCCCCC(C(O)CC(O)=O)C(O)=O
InChI key: ROYIOVVKJBERGN-UHFFFAOYSA-N