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125789-96-0 | BENZENEPROPANAMIDE, 3,4-DIHYDROXY-N,N-DIMETHYL-
CAS No: 125789-96-0 Catalog No: AG000OR5 MDL No:
Product Description
Catalog Number:
AG000OR5
Chemical Name:
BENZENEPROPANAMIDE, 3,4-DIHYDROXY-N,N-DIMETHYL-
CAS Number:
125789-96-0
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
3-(3,4-dihydroxyphenyl)-N,N-dimethylpropanamide
InChI:
InChI=1S/C11H15NO3/c1-12(2)11(15)6-4-8-3-5-9(13)10(14)7-8/h3,5,7,13-14H,4,6H2,1-2H3
InChI Key:
COGRRXGDGKANDV-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)CCc1ccc(c(c1)O)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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