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Home > Indoles and Oxindole > 876898-31-6
876898-31-6 | 2-(3-Formyl-5-methoxy-indol-1-yl)-acetamide
CAS No: 876898-31-6 Catalog No: AG01EY3N MDL No:
Product Description
Catalog Number:
AG01EY3N
Chemical Name:
2-(3-Formyl-5-methoxy-indol-1-yl)-acetamide
CAS Number:
876898-31-6
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
2-(3-formyl-5-methoxyindol-1-yl)acetamide
InChI:
InChI=1S/C12H12N2O3/c1-17-9-2-3-11-10(4-9)8(7-15)5-14(11)6-12(13)16/h2-5,7H,6H2,1H3,(H2,13,16)
InChI Key:
JXAMHUGZRQOWNK-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cc(OC)cc2)CC(=O)N
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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