C1=CC(=CC(=C1)C(=O)O)C=O
CAS: 619-21-6
Name: 3-formylbenzoic acid
SMILES: C1=CC(=CC(=C1)C(=O)O)C=O

Molecular Processing

Molecular formula
C8H6O3
Molecular weight
150.13
Exact mass
150.0317
XLogP
1.2
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
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
Molar refractivity
38.79

Supplementary Information

InChIKey: UHDNUPHSDMOGCR-UHFFFAOYSA-N
Synonyme
3-FORMYLBENZOIC ACID3-Carboxybenzaldehyde619-21-6Benzoic acid, 3-formyl-m-Formyl benzoic acidEINECS 210-585-6HB95GRM95DDTXSID0060696FORMYL BENZOIC ACID, M-UHDNUPHSDMOGCR-UHFFFAOYSA-RefChem:499577DTXCID7043168210-585-6InChI=1/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)Isophthalaldehydic acid3-formyl benzoic acidMFCD000395753-Formyl-benzoic acid3-FormylbenzoicAcidUNII-HB95GRM95DIsophthalaldehydsaure3-ormylbenzoic acid3-carboxy-benzaldehyde3-Formylbenzoic acid #3-Formylbenzoic acid, 97%SCHEMBL266698SCHEMBL536823CHEMBL583576SCHEMBL5664511SCHEMBL7198957
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