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Home > Other Heterocycles > 176-12-5
176-12-5 | 1-Oxa-7-aza-spiro[4.4]nonane
CAS No: 176-12-5 Catalog No: AG0021CI MDL No:MFCD14581260
Product Description
Catalog Number:
AG0021CI
Chemical Name:
1-Oxa-7-aza-spiro[4.4]nonane
CAS Number:
176-12-5
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD14581260
IUPAC Name:
1-oxa-7-azaspiro[4.4]nonane
InChI:
InChI=1S/C7H13NO/c1-2-7(9-5-1)3-4-8-6-7/h8H,1-6H2
InChI Key:
TUDSQZVIXYHEHF-UHFFFAOYSA-N
SMILES:
C1COC2(C1)CCNC2
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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