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5-((4-Aminophenyl)azo)-3-methylsalicylic acid

HCID 103146
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Basic information

CAS
65072-59-5
Standard SMILES
Cc1cc(N=Nc2ccc(N)cc2)cc(C(=O)O)c1O
InChIKey
YTIOMBPRIHISAH-UHFFFAOYSA-N
Molecular formula
C14H13N3O3
Average molar mass
271.27 g/mol
Monoisotopic mass
271.09569129

Names & identifiers

Preferred name
5-((4-Aminophenyl)azo)-3-methylsalicylic acid
IUPAC
5-[(4-aminophenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid
English name
5-[(4-aminophenyl)azo]-3-methylsalicylic acid
Molecular formula
C14H13N3O3
Molecular weight
271.27

Names & synonyms

5-((4-Aminophenyl)azo)-3-methylsalicylic acid65072-59-55-[(4-aminophenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid5-[2-(4-Aminophenyl)diazenyl]-2-hydroxy-3-methylbenzoic acidEINECS 265-377-8YGL56R2TQMYTIOMBPRIHISAH-UHFFFAOYSA-NDTXSID1011865932,3-Cresotic acid, 5-(p-aminophenylazo)-NS00056507Benzoic acid, 5-[2-(4-aminophenyl)diazenyl]-2-hydroxy-3-methyl-5-(p-Aminophenylazo)-3-methylsalicylic acid
Show more names
5-[(4-aminophenyl)azo]-3-methylsalicylic acid5-(4-Aminophenylazo)-2-hydroxy-3-methylbenzoic acid

Database identifiers

CAS
65072-59-5
PubChem CID
103146
DTXSID
DTXSID101186593
UNII
YGL56R2TQM
EC Number
265-377-8
Nikkaji
J30.040C

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
108 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
367

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Compound notes

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