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75776-51-1 | 1,4-Dioxa-7-azaspiro[4.4]nonane-8-carboxylicacid, (S)- (9CI)
CAS No: 75776-51-1 Catalog No: AG005IEN MDL No:
Product Description
Catalog Number:
AG005IEN
Chemical Name:
1,4-Dioxa-7-azaspiro[4.4]nonane-8-carboxylicacid, (S)- (9CI)
CAS Number:
75776-51-1
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
IUPAC Name:
(8S)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
InChI:
InChI=1S/C7H11NO4/c9-6(10)5-3-7(4-8-5)11-1-2-12-7/h5,8H,1-4H2,(H,9,10)/t5-/m0/s1
InChI Key:
WRHPVRWALQQWHH-YFKPBYRVSA-N
SMILES:
OC(=O)[C@H]1NCC2(C1)OCCO2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
173.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.168g/mol
Monoisotopic Mass:
173.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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