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67697-49-8 | 4h-isoxazolo[4,5-c]azepin-3-ol, 5,6,7,8-tetrahydro-
CAS No: 67697-49-8 Catalog No: AG005QLS MDL No:
Product Description
Catalog Number:
AG005QLS
Chemical Name:
4h-isoxazolo[4,5-c]azepin-3-ol, 5,6,7,8-tetrahydro-
CAS Number:
67697-49-8
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
IUPAC Name:
2-(1-butyl-2-methylindole-3-carbonyl)benzoic acid
InChI:
InChI=1S/C21H21NO3/c1-3-4-13-22-14(2)19(17-11-7-8-12-18(17)22)20(23)15-9-5-6-10-16(15)21(24)25/h5-12H,3-4,13H2,1-2H3,(H,24,25)
InChI Key:
CCSUXQLIZFUPDW-UHFFFAOYSA-N
SMILES:
Oc1noc2c1CNCCC2
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.152g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.403g/mol
Monoisotopic Mass:
335.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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