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99875-42-0 | (1-METHYL-2-PYRROLIDINYLIDENE)-ACETONITRILE
CAS No: 99875-42-0 Catalog No: AG003W3L MDL No:
Product Description
Catalog Number:
AG003W3L
Chemical Name:
(1-METHYL-2-PYRROLIDINYLIDENE)-ACETONITRILE
CAS Number:
99875-42-0
Molecular Formula:
C7H10N2
Molecular Weight:
122.1677
IUPAC Name:
2-(1-methylpyrrolidin-2-ylidene)acetonitrile
InChI:
InChI=1S/C7H10N2/c1-9-6-2-3-7(9)4-5-8/h4H,2-3,6H2,1H3
InChI Key:
ISCVFPUOTPSSOQ-UHFFFAOYSA-N
SMILES:
N#CC=C1CCCN1C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.171g/mol
Monoisotopic Mass:
122.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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