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328973-78-0 | (3-formyl-1H-indol-1-yl)methyl cyanide
CAS No: 328973-78-0 Catalog No: AG00JJ7R MDL No:MFCD01785676
Product Description
Catalog Number:
AG00JJ7R
Chemical Name:
(3-formyl-1H-indol-1-yl)methyl cyanide
CAS Number:
328973-78-0
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD01785676
IUPAC Name:
2-(3-formylindol-1-yl)acetonitrile
InChI:
InChI=1S/C11H8N2O/c12-5-6-13-7-9(8-14)10-3-1-2-4-11(10)13/h1-4,7-8H,6H2
InChI Key:
XTRQLVIHXWZSEJ-UHFFFAOYSA-N
SMILES:
N#CCn1cc(c2c1cccc2)C=O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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