Home Carboxys 3-cyanooxane-3-carboxylic acid

3-cyanooxane-3-carboxylic acid

CAS No.:
1695144-42-3
Catalog Number:
AG01B5P0
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
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Product Description
Catalog Number:
AG01B5P0
Chemical Name:
3-cyanooxane-3-carboxylic acid
CAS Number:
1695144-42-3
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD14622526
IUPAC Name:
3-cyanooxane-3-carboxylic acid
InChI:
InChI=1S/C7H9NO3/c8-4-7(6(9)10)2-1-3-11-5-7/h1-3,5H2,(H,9,10)
InChI Key:
AOUHIXJGHGHVIF-UHFFFAOYSA-N
SMILES:
N#CC1(CCCOC1)C(=O)O
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties