Home Other Building Blocks 3-oxa-7-azabicyclo[3.3.1]nonane, acetic acid

3-oxa-7-azabicyclo[3.3.1]nonane, acetic acid

CAS No.:
1354953-58-4
Catalog Number:
AG019SVC
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
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Product Description
Catalog Number:
AG019SVC
Chemical Name:
3-oxa-7-azabicyclo[3.3.1]nonane, acetic acid
CAS Number:
1354953-58-4
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD20731140
IUPAC Name:
acetic acid;3-oxa-7-azabicyclo[3.3.1]nonane
InChI:
InChI=1S/C7H13NO.C2H4O2/c1-6-2-8-3-7(1)5-9-4-6;1-2(3)4/h6-8H,1-5H2;1H3,(H,3,4)
InChI Key:
NXKOLNVDLHZRQT-UHFFFAOYSA-N
SMILES:
N1CC2COCC(C1)C2.CC(=O)O
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties