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467451-63-4

467451-63-4 | 3-Formyl-1H-indole-7-carbonitrile

CAS No: 467451-63-4 Catalog No: AG0038QA MDL No:MFCD11110373

Product Description

Catalog Number:
AG0038QA
Chemical Name:
3-Formyl-1H-indole-7-carbonitrile
CAS Number:
467451-63-4
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD11110373
IUPAC Name:
3-formyl-1H-indole-7-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-4-7-2-1-3-9-8(6-13)5-12-10(7)9/h1-3,5-6,12H
InChI Key:
WFXZKENGRJYLOG-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cccc2C#N

Properties

Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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