Home Carboxys 2-tert-Butyl 8a-methyl (8ar)-6-oxo-1,2,3,4,6,7,8,8a-octahydroisoquinoline-2,8a-dicarboxylate

2-tert-Butyl 8a-methyl (8ar)-6-oxo-1,2,3,4,6,7,8,8a-octahydroisoquinoline-2,8a-dicarboxylate

CAS No.:
445312-74-3
Catalog Number:
AG00DL8V
Molecular Formula:
C16H23NO5
Molecular Weight:
309.3575
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$478
- +
1g
95%
1 week
United States
$1138
- +
Product Description
Catalog Number:
AG00DL8V
Chemical Name:
2-tert-Butyl 8a-methyl (8ar)-6-oxo-1,2,3,4,6,7,8,8a-octahydroisoquinoline-2,8a-dicarboxylate
CAS Number:
445312-74-3
Molecular Formula:
C16H23NO5
Molecular Weight:
309.3575
MDL Number:
MFCD29922376
IUPAC Name:
2-O-tert-butyl 8a-O-methyl (8aR)-6-oxo-3,4,7,8-tetrahydro-1H-isoquinoline-2,8a-dicarboxylate
InChI:
InChI=1S/C16H23NO5/c1-15(2,3)22-14(20)17-8-6-11-9-12(18)5-7-16(11,10-17)13(19)21-4/h9H,5-8,10H2,1-4H3/t16-/m0/s1
InChI Key:
DEMROIUOHAMDAU-INIZCTEOSA-N
SMILES:
COC(=O)[C@@]12CCC(=O)C=C2CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
531  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
309.158g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.362g/mol
Monoisotopic Mass:
309.158g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties