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533-73-3

533-73-3 | Benzene-1,2,4-triol

CAS No: 533-73-3 Catalog No: AG003DBA MDL No:MFCD00002198

Product Description

Catalog Number:
AG003DBA
Chemical Name:
Benzene-1,2,4-triol
CAS Number:
533-73-3
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
MDL Number:
MFCD00002198
IUPAC Name:
benzene-1,2,4-triol
InChI:
InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
InChI Key:
GGNQRNBDZQJCCN-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)O
EC Number:
208-575-1
UNII:
173O8B04RD
NSC Number:
2818

Properties

Complexity:
94.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.032g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
126.111g/mol
Monoisotopic Mass:
126.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

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