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887432-93-1 | 2-(TERT-BUTYLCARBONYL)-1,2,3,4-TETRAHYDROBENZO[B][1,6]NAPHTHYRIDINE-10-CARBOXYLIC ACID
CAS No: 887432-93-1 Catalog No: AG004COY MDL No:MFCD03645391
Product Description
Catalog Number:
AG004COY
Chemical Name:
2-(TERT-BUTYLCARBONYL)-1,2,3,4-TETRAHYDROBENZO[B][1,6]NAPHTHYRIDINE-10-CARBOXYLIC ACID
CAS Number:
887432-93-1
Molecular Formula:
C18H20N2O3
Molecular Weight:
312.3630
MDL Number:
MFCD03645391
IUPAC Name:
2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
InChI:
InChI=1S/C18H20N2O3/c1-18(2,3)17(23)20-9-8-14-12(10-20)15(16(21)22)11-6-4-5-7-13(11)19-14/h4-7H,8-10H2,1-3H3,(H,21,22)
InChI Key:
VEXKRODUEWHSIM-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)N1CCc2c(C1)c(C(=O)O)c1c(n2)cccc1
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.369g/mol
Monoisotopic Mass:
312.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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