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125789-89-1 | BENZENEACETAMIDE, 3,4-DIHYDROXY-N-PROPYL-
CAS No: 125789-89-1 Catalog No: AG000OR7 MDL No:MFCD28161509
Product Description
Catalog Number:
AG000OR7
Chemical Name:
BENZENEACETAMIDE, 3,4-DIHYDROXY-N-PROPYL-
CAS Number:
125789-89-1
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD28161509
IUPAC Name:
2-(3,4-dihydroxyphenyl)-N-propylacetamide
InChI:
InChI=1S/C11H15NO3/c1-2-5-12-11(15)7-8-3-4-9(13)10(14)6-8/h3-4,6,13-14H,2,5,7H2,1H3,(H,12,15)
InChI Key:
RQOSYKDYTXPDRK-UHFFFAOYSA-N
SMILES:
CCCNC(=O)Cc1ccc(c(c1)O)O
Properties
Complexity:
208
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:
3
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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