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88745-28-2 | Propanedinitrile, [2-[(dimethylamino)methylene]cyclopentylidene]-
CAS No: 88745-28-2 Catalog No: AG004COI MDL No:
Product Description
Catalog Number:
AG004COI
Chemical Name:
Propanedinitrile, [2-[(dimethylamino)methylene]cyclopentylidene]-
CAS Number:
88745-28-2
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
IUPAC Name:
2-[2-(dimethylaminomethylidene)cyclopentylidene]propanedinitrile
InChI:
InChI=1S/C11H13N3/c1-14(2)8-9-4-3-5-11(9)10(6-12)7-13/h8H,3-5H2,1-2H3
InChI Key:
XIXDSTPYOOMFQJ-UHFFFAOYSA-N
SMILES:
N#CC(=C1CCCC1=CN(C)C)C#N
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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