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Home > Indoles and Oxindole > 338981-95-6
338981-95-6 | 3-[(3-cyanophenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile
CAS No: 338981-95-6 Catalog No: AG00IZ56 MDL No:MFCD01568598
Product Description
Catalog Number:
AG00IZ56
Chemical Name:
3-[(3-cyanophenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile
CAS Number:
338981-95-6
Molecular Formula:
C21H13N3O
Molecular Weight:
323.3474
MDL Number:
MFCD01568598
IUPAC Name:
3-[(3-cyanophenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile
InChI:
InChI=1S/C21H13N3O/c22-12-15-4-3-5-16(10-15)14-25-17-7-8-18-19(13-23)20-6-1-2-9-24(20)21(18)11-17/h1-11H,14H2
InChI Key:
FFTKKLTXCFVDFT-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)COc1ccc2c(c1)n1ccccc1c2C#N
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.355g/mol
Monoisotopic Mass:
323.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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