C1CCOC(C1)OC2=CC=C(C=C2)C(=O)O
CAS: 35486-97-6
Name: 4-(oxan-2-yloxy)benzoic acid
SMILES: C1CCOC(C1)OC2=CC=C(C=C2)C(=O)O

Molecular Processing

Molecular formula
C12H14O4
Molecular weight
222.24
Exact mass
222.0892
XLogP
2.29
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
57.62

Supplementary Information

InChIKey: GIDLWOPUFGMILA-UHFFFAOYSA-N
Synonyms
4-(tetrahydro-2H-pyran-2-yloxy)benzoic acid4-(3,4,5,6-tetrahydropyran-2-yloxy)benzoic acid35486-97-6SCHEMBL225085GIDLWOPUFGMILA-UHFFFAOYSA-Np-tetrahydropyranyloxy benzoic acidDB-1843914-[(Tetrahydro-2h-pyran-2-yl)oxy]benzoic acid
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Involved in 2 reactions→

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