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771574-78-8 | 2-[(5-methoxy-1H-indol-3-yl)methylidene]propanedinitrile
CAS No: 771574-78-8 Catalog No: AG00IOY0 MDL No:MFCD06213890
Product Description
Catalog Number:
AG00IOY0
Chemical Name:
2-[(5-methoxy-1H-indol-3-yl)methylidene]propanedinitrile
CAS Number:
771574-78-8
Molecular Formula:
C13H9N3O
Molecular Weight:
223.2301
MDL Number:
MFCD06213890
IUPAC Name:
2-[(5-methoxy-1H-indol-3-yl)methylidene]propanedinitrile
InChI:
InChI=1S/C13H9N3O/c1-17-11-2-3-13-12(5-11)10(8-16-13)4-9(6-14)7-15/h2-5,8,16H,1H3
InChI Key:
AXSNFTQSKJJFDZ-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1c[nH]c2c1cc(OC)cc2)C#N
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.235g/mol
Monoisotopic Mass:
223.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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