4-BUTYL-1,5-DIOXO-2,3,4,5-TETRAHYDROPYRROLO[1,2-A]QUINAZOLINE-3A(1H)-CARBOXYLIC ACID


Chemical Name: 4-BUTYL-1,5-DIOXO-2,3,4,5-TETRAHYDROPYRROLO[1,2-A]QUINAZOLINE-3A(1H)-CARBOXYLIC ACID
CAS Number: 863669-61-8
Product Number: AG00GUE9(AGN-00GU8P)
Synonyms:
MDL No:
Molecular Formula: C16H18N2O4
Molecular Weight: 302.3251

Identification/Properties


Computed Properties
Molecular Weight:
302.33g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
302.127g/mol
Monoisotopic Mass:
302.127g/mol
Topological Polar Surface Area:
77.9A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
506
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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