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79967-08-1 | Benzamide, N-ethyl-3,4-dihydroxy-
CAS No: 79967-08-1 Catalog No: AG005EUD MDL No:
Product Description
Catalog Number:
AG005EUD
Chemical Name:
Benzamide, N-ethyl-3,4-dihydroxy-
CAS Number:
79967-08-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
N-ethyl-3,4-dihydroxybenzamide
InChI:
InChI=1S/C9H11NO3/c1-2-10-9(13)6-3-4-7(11)8(12)5-6/h3-5,11-12H,2H2,1H3,(H,10,13)
InChI Key:
VOTRDDPZRFTCPO-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1ccc(c(c1)O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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