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Home > Indoles and Oxindole > 1824098-49-8
1824098-49-8 | 3-METHYLINDOLINE-5-CARBONITRILE
CAS No: 1824098-49-8 Catalog No: AG01BP80 MDL No:MFCD22371098
Product Description
Catalog Number:
AG01BP80
Chemical Name:
3-METHYLINDOLINE-5-CARBONITRILE
CAS Number:
1824098-49-8
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD22371098
IUPAC Name:
3-methyl-2,3-dihydro-1H-indole-5-carbonitrile
InChI:
InChI=1S/C10H10N2/c1-7-6-12-10-3-2-8(5-11)4-9(7)10/h2-4,7,12H,6H2,1H3
InChI Key:
TVXWKHUUZYJRJC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C(C)CN2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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