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Home > Other Heterocycles > 1272755-92-6
1272755-92-6 | Benzoic acid, 2-(2-oxo-1,4-diazaspiro[4.4]non-3-yl)-
CAS No: 1272755-92-6 Catalog No: AG000WU9 MDL No:MFCD18651737
Product Description
Catalog Number:
AG000WU9
Chemical Name:
Benzoic acid, 2-(2-oxo-1,4-diazaspiro[4.4]non-3-yl)-
CAS Number:
1272755-92-6
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
MDL Number:
MFCD18651737
IUPAC Name:
2-(3-oxo-1,4-diazaspiro[4.4]nonan-2-yl)benzoic acid
InChI:
InChI=1S/C14H16N2O3/c17-12-11(15-14(16-12)7-3-4-8-14)9-5-1-2-6-10(9)13(18)19/h1-2,5-6,11,15H,3-4,7-8H2,(H,16,17)(H,18,19)
InChI Key:
KKLJBFWRWGZKQD-UHFFFAOYSA-N
SMILES:
O=C1NC2(NC1c1ccccc1C(=O)O)CCCC2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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