C(CCCC(=O)O)CCC(=O)O
CAS: 505-48-6
Nombre: octanedioic acid
SMILES: C(CCCC(=O)O)CCC(=O)O

Molecular Processing

Molecular formula
C8H14O4
Molecular weight
174.2
Exact mass
174.0892
XLogP
1.5
TPSA
74.6
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
42.97

Supplementary Information

InChIKey: TYFQFVWCELRYAO-UHFFFAOYSA-N
Sinónimos
Octanedioic acidSUBERIC ACID505-48-6Cork acid1,6-Hexanedicarboxylic acid1,8-Octanedioic acidHexamethylenedicarboxylic acidDTXSID80216446U7Y4M9C1HNSC-25952CHEBI:9300DTXCID101644hydron;octanedioateRefChem:932329208-010-9Octane-1,8-dioic acid1,6-DicarboxyhexaneOctanedioc acidMFCD00004428NSC259521.6-HexanedicaKork AcidUNII-6U7Y4M9C1HKorksaeureOktandisaeureSuberinsaeureKorksaure1,8-OctanedioateEINECS 208-010-9NSC 25952
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