Home Carboxys 1,3,4,5-Tetrahydro-pyrido[4,3-b]indole-2,8-dicarboxylic acid 2-tert-butyl ester

1,3,4,5-Tetrahydro-pyrido[4,3-b]indole-2,8-dicarboxylic acid 2-tert-butyl ester

CAS No.:
300715-96-2
Catalog Number:
AG007JLA
Molecular Formula:
C17H20N2O4
Molecular Weight:
316.3517
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$150
- +
1g
95%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG007JLA
Chemical Name:
1,3,4,5-Tetrahydro-pyrido[4,3-b]indole-2,8-dicarboxylic acid 2-tert-butyl ester
CAS Number:
300715-96-2
Molecular Formula:
C17H20N2O4
Molecular Weight:
316.3517
MDL Number:
MFCD04115223
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
InChI:
InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-7-6-14-12(9-19)11-8-10(15(20)21)4-5-13(11)18-14/h4-5,8,18H,6-7,9H2,1-3H3,(H,20,21)
InChI Key:
LCLGLPDRQJBJET-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c1cc(ccc1[nH]2)C(=O)O)OC(C)(C)C
Properties
Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.142g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
316.357g/mol
Monoisotopic Mass:
316.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties