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141862-47-7 | Benzamide, 5-(2,2-dihydroxyacetyl)-2-hydroxy-
CAS No: 141862-47-7 Catalog No: AG001HAA MDL No:
Product Description
Catalog Number:
AG001HAA
Chemical Name:
Benzamide, 5-(2,2-dihydroxyacetyl)-2-hydroxy-
CAS Number:
141862-47-7
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
2-hydroxy-5-oxaldehydoylbenzamide;hydrate
InChI:
InChI=1S/C9H7NO4.H2O/c10-9(14)6-3-5(8(13)4-11)1-2-7(6)12;/h1-4,12H,(H2,10,14);1H2
InChI Key:
RUKMDWRFCILJJD-UHFFFAOYSA-N
SMILES:
OC(C(=O)c1ccc(c(c1)C(=O)N)O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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