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Home > Other Heterocycles > 1272755-83-5
1272755-83-5 | Benzoic acid, 2-(6-oxo-5,8-diazaspiro[3.4]oct-7-yl)-
CAS No: 1272755-83-5 Catalog No: AG000WUI MDL No:MFCD18651747
Product Description
Catalog Number:
AG000WUI
Chemical Name:
Benzoic acid, 2-(6-oxo-5,8-diazaspiro[3.4]oct-7-yl)-
CAS Number:
1272755-83-5
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD18651747
IUPAC Name:
2-(7-oxo-5,8-diazaspiro[3.4]octan-6-yl)benzoic acid
InChI:
InChI=1S/C13H14N2O3/c16-11-10(14-13(15-11)6-3-7-13)8-4-1-2-5-9(8)12(17)18/h1-2,4-5,10,14H,3,6-7H2,(H,15,16)(H,17,18)
InChI Key:
YXSMEPFANLLALV-UHFFFAOYSA-N
SMILES:
O=C1NC2(NC1c1ccccc1C(=O)O)CCC2
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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