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131062-91-4 | Acetamide, N-[2-[3(or 4)-hydroxy-4(or 3)-(sulfooxy)phenyl]ethyl]- (9CI)
CAS No: 131062-91-4 Catalog No: AG000VHE MDL No:
Product Description
Catalog Number:
AG000VHE
Chemical Name:
Acetamide, N-[2-[3(or 4)-hydroxy-4(or 3)-(sulfooxy)phenyl]ethyl]- (9CI)
CAS Number:
131062-91-4
Molecular Formula:
C10H15NO7S
Molecular Weight:
293.2936
IUPAC Name:
N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide;sulfuric acid
InChI:
InChI=1S/C10H13NO3.H2O4S/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8;1-5(2,3)4/h2-3,6,13-14H,4-5H2,1H3,(H,11,12);(H2,1,2,3,4)
InChI Key:
ZYZWKWOZCBLGOC-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CC(=O)NCCc1ccc(c(c1)O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
293.29g/mol
Monoisotopic Mass:
293.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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