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310430-89-8 | 1H-Pyrrole-2-carbonitrile, 1-amino-3-methyl-
CAS No: 310430-89-8 Catalog No: AG0031Z2 MDL No:MFCD12923533
Product Description
Catalog Number:
AG0031Z2
Chemical Name:
1H-Pyrrole-2-carbonitrile, 1-amino-3-methyl-
CAS Number:
310430-89-8
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD12923533
IUPAC Name:
1-amino-3-methylpyrrole-2-carbonitrile
InChI:
InChI=1S/C6H7N3/c1-5-2-3-9(8)6(5)4-7/h2-3H,8H2,1H3
InChI Key:
QKCSJWQVCNJXDZ-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)ccn1N
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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