Home Carbonyls 8-(Benzyloxycarbonyl)-1-Oxa-8-Azaspiro[4.6]Undecane-3-Carboxylic Acid

8-(Benzyloxycarbonyl)-1-Oxa-8-Azaspiro[4.6]Undecane-3-Carboxylic Acid

CAS No.:
1160247-00-6
Catalog Number:
AG00HD7D
Molecular Formula:
C18H23NO5
Molecular Weight:
333.3789
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Product Description
Catalog Number:
AG00HD7D
Chemical Name:
8-(Benzyloxycarbonyl)-1-Oxa-8-Azaspiro[4.6]Undecane-3-Carboxylic Acid
CAS Number:
1160247-00-6
Molecular Formula:
C18H23NO5
Molecular Weight:
333.3789
MDL Number:
MFCD12198538
IUPAC Name:
9-phenylmethoxycarbonyl-1-oxa-9-azaspiro[4.6]undecane-3-carboxylic acid
InChI:
InChI=1S/C18H23NO5/c20-16(21)15-11-18(24-13-15)7-4-9-19(10-8-18)17(22)23-12-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,21)
InChI Key:
JJGMYEKCJKIJIT-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2(CC1)OCC(C2)C(=O)O)OCc1ccccc1
Properties
Complexity:
462  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.158g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.384g/mol
Monoisotopic Mass:
333.158g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties