O=C(O)CCCC(=O)O
CAS: 110-94-1
Nom: pentanedioic acid
SMILES: O=C(O)CCCC(=O)O

Molecular Processing

Molecular formula
C5H8O4
Molecular weight
132.12
Exact mass
132.0423
XLogP
0.33
TPSA
74.6
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
9
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
0.6
Molar refractivity
29.12

Supplementary Information

InChIKey: JFCQEDHGNNZCLN-UHFFFAOYSA-N
Synonymes
GLUTARIC ACIDPentanedioic acid110-94-11,5-Pentanedioic acidglutarate1,3-Propanedicarboxylic acidPentandioic acidn-Pyrotartaric acidDTXSID2021654CHEBI:17859H849F7N00BNSC-9238DTXCID401654hydron;pentanedioateRefChem:5863CHEBI:24329203-817-2Pentanedioatepropane-1,3-dicarboxylic acidMFCD00004410Abacavir relatedNSC9238CAS-110-94-1HSDB 5542NSC 9238EINECS 203-817-2BRN 1209725GlutarsaeurePentandioateUNII-H849F7N00B
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→