Benzoic acid, 4-acetyl-3-hydroxy-


Chemical Name: Benzoic acid, 4-acetyl-3-hydroxy-
CAS Number: 102297-62-1
Product Number: AG0091Q5(AGN-PC-0N8A2R)
Synonyms:
MDL No:
Molecular Formula: C9H8O4
Molecular Weight: 180.1574

Identification/Properties


Computed Properties
Molecular Weight:
180.159g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
180.042g/mol
Monoisotopic Mass:
180.042g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
224
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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