Home Carboxys 1-cyanospiro[2.4]heptane-1-carboxylic acid

1-cyanospiro[2.4]heptane-1-carboxylic acid

CAS No.:
1374509-59-7
Catalog Number:
AG01BCWG
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
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Product Description
Catalog Number:
AG01BCWG
Chemical Name:
1-cyanospiro[2.4]heptane-1-carboxylic acid
CAS Number:
1374509-59-7
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD22375118
IUPAC Name:
2-cyanospiro[2.4]heptane-2-carboxylic acid
InChI:
InChI=1S/C9H11NO2/c10-6-9(7(11)12)5-8(9)3-1-2-4-8/h1-5H2,(H,11,12)
InChI Key:
QQMRXHDDFHMLCE-UHFFFAOYSA-N
SMILES:
N#CC1(CC21CCCC2)C(=O)O
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties