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138169-57-0 | Benzamide, 4-hydroxy-, hydrate (1:1)
CAS No: 138169-57-0 Catalog No: AG001841 MDL No:MFCD14705667
Product Description
Catalog Number:
AG001841
Chemical Name:
Benzamide, 4-hydroxy-, hydrate (1:1)
CAS Number:
138169-57-0
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD14705667
IUPAC Name:
4-hydroxybenzamide;hydrate
InChI:
InChI=1S/C7H7NO2.H2O/c8-7(10)5-1-3-6(9)4-2-5;/h1-4,9H,(H2,8,10);1H2
InChI Key:
AHXBTSPVUITUAH-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1)O.O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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