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25090-49-7 | Bicyclo[3.1.0]hexane-1-carboxylic acid, 5-cyano-
CAS No: 25090-49-7 Catalog No: AG002QGU MDL No:
Product Description
Catalog Number:
AG002QGU
Chemical Name:
Bicyclo[3.1.0]hexane-1-carboxylic acid, 5-cyano-
CAS Number:
25090-49-7
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
5-cyanobicyclo[3.1.0]hexane-1-carboxylic acid
InChI:
InChI=1S/C8H9NO2/c9-5-7-2-1-3-8(7,4-7)6(10)11/h1-4H2,(H,10,11)
InChI Key:
PAKSMKGWJYEZDB-UHFFFAOYSA-N
SMILES:
N#CC12CCCC2(C1)C(=O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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