Home Other Building Blocks 1H-indol-2-ylmethyl acetate

1H-indol-2-ylmethyl acetate

CAS No.:
63158-55-4
Catalog Number:
AG01BDL5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG01BDL5
Chemical Name:
1H-indol-2-ylmethyl acetate
CAS Number:
63158-55-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD24549587
IUPAC Name:
1H-indol-2-ylmethyl acetate
InChI:
InChI=1S/C11H11NO2/c1-8(13)14-7-10-6-9-4-2-3-5-11(9)12-10/h2-6,12H,7H2,1H3
InChI Key:
QGCMSGQCZONNJU-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1cc2c([nH]1)cccc2
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties