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Home > Indoles and Oxindole > 49787-37-3
49787-37-3 | 1-(3-hydroxy-5-methoxy-1H-indol-1-yl)ethan-1-one
CAS No: 49787-37-3 Catalog No: AG01BACW MDL No:MFCD22045812
Product Description
Catalog Number:
AG01BACW
Chemical Name:
1-(3-hydroxy-5-methoxy-1H-indol-1-yl)ethan-1-one
CAS Number:
49787-37-3
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD22045812
IUPAC Name:
1-(3-hydroxy-5-methoxyindol-1-yl)ethanone
InChI:
InChI=1S/C11H11NO3/c1-7(13)12-6-11(14)9-5-8(15-2)3-4-10(9)12/h3-6,14H,1-2H3
InChI Key:
PZXOWEYOGUQVBZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(O)cn2C(=O)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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