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26187-27-9 | 1H-Pyrrole-3-carbonitrile, 2-methyl-
CAS No: 26187-27-9 Catalog No: AG002S4I MDL No:MFCD11505960
Product Description
Catalog Number:
AG002S4I
Chemical Name:
1H-Pyrrole-3-carbonitrile, 2-methyl-
CAS Number:
26187-27-9
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
MDL Number:
MFCD11505960
IUPAC Name:
2-methyl-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C6H6N2/c1-5-6(4-7)2-3-8-5/h2-3,8H,1H3
InChI Key:
ZOAISSYFNQZAAW-UHFFFAOYSA-N
SMILES:
Cc1c(cc[nH]1)C#N
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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