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141857-96-7 | 1H-Phosphole-2-carbonitrile, 3,4-dimethyl-
CAS No: 141857-96-7 Catalog No: AG001H9A MDL No:
Product Description
Catalog Number:
AG001H9A
Chemical Name:
1H-Phosphole-2-carbonitrile, 3,4-dimethyl-
CAS Number:
141857-96-7
Molecular Formula:
C7H8NP
Molecular Weight:
137.1189
IUPAC Name:
3,4-dimethyl-1H-phosphole-2-carbonitrile
InChI:
InChI=1S/C7H8NP/c1-5-4-9-7(3-8)6(5)2/h4,9H,1-2H3
InChI Key:
WFROBWNFCLLXBM-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)C(=CP1)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.039g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.122g/mol
Monoisotopic Mass:
137.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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