CCCCOC1=CC=C(C=C1)C=O
CAS: 5736-88-9
Name: 4-butoxybenzaldehyde
SMILES: CCCCOC1=CC=C(C=C1)C=O

Molecular Processing

Molecular formula
C11H14O2
Molecular weight
178.23
Exact mass
178.0994
XLogP
2.68
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
52.23

Supplementary Information

InChIKey: XHWMNHADTZZHGI-UHFFFAOYSA-N
Synonyme
4-Butoxybenzaldehydep-ButoxybenzaldehydeBenzaldehyde, 4-butoxy-Benzaldehyde, p-butoxy-8OP1TZF294p-(n-Butoxy)benzaldehydeEINECS 227-247-9NSC 508762NSC-508762UNII-8OP1TZF294AI3-05712DTXSID5063992pButoxybenzaldehydeBenzaldehyde, pbutoxyBenzaldehyde, 4butoxyRefChem:98231DTXCID9042205XHWMNHADTZZHGI-UHFFFAOYSA-N5736-88-94-n-Butoxybenzaldehyde4-butoxy-benzaldehydeMFCD00003389p-n-butoxybenzaldehyde4-n-butyloxybenzaldehydeNSC5087624-Butoxybenzaldehyde, 98%SCHEMBL510500SCHEMBL2121391ALBB-001160BBL027438
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