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113942-19-1 | 1,3-Cyclopentadiene-1-acetonitrile, 5-cyclopentylidene-
CAS No: 113942-19-1 Catalog No: AG000A4J MDL No:
Product Description
Catalog Number:
AG000A4J
Chemical Name:
1,3-Cyclopentadiene-1-acetonitrile, 5-cyclopentylidene-
CAS Number:
113942-19-1
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
IUPAC Name:
2-(5-cyclopentylidenecyclopenta-1,3-dien-1-yl)acetonitrile
InChI:
InChI=1S/C12H13N/c13-9-8-11-6-3-7-12(11)10-4-1-2-5-10/h3,6-7H,1-2,4-5,8H2
InChI Key:
BVCRDOJUFCDYRD-UHFFFAOYSA-N
SMILES:
N#CCC1=CC=CC1=C1CCCC1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.243g/mol
Monoisotopic Mass:
171.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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