O=C(O)CCCc1ccncc1
CAS: 102878-73-9
Name: 4-pyridin-4-ylbutanoic acid
SMILES: O=C(O)CCCc1ccncc1

Molecular Processing

Molecular formula
C9H11NO2
Molecular weight
165.19
Exact mass
165.079
XLogP
1.49
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
44.81

Supplementary Information

InChIKey: LTEOZJKVMBWJRT-UHFFFAOYSA-N
Synonyme
102878-73-94-Pyridinebutanoic acidDTXSID10390202RefChem:296009DTXCID20341063LTEOZJKVMBWJRT-UHFFFAOYSA-N4-Pyridin-4-yl-butyric acid4-(pyridin-4-yl)butanoic acid4-pyridin-4-ylbutanoic Acid4-(4-pyridyl)butanoic acidMFCD00673154Tirofiban Impurity 26Tirofiban Impurity Z4-pyridinebutyric acid4-(4-pyridinyl)butanoic acidSCHEMBL1624984SBB014669STK691862AKOS000672473SB54070NCGC00340276-01AS-47669SY260386DB-058879ST4140335CS-0059802EN300-153643F15138AB01331744-02F060837
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