Home Carbonyls 2-(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)acetic acid

2-(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)acetic acid

CAS No.:
1158755-34-0
Catalog Number:
AG00HD3V
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$231
- +
250mg
95%
In Stock USA
United States
$399
- +
1g
95%
In Stock USA
United States
$840
- +
5g
95%
In Stock USA
United States
$2520
- +
Product Description
Catalog Number:
AG00HD3V
Chemical Name:
2-(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)acetic acid
CAS Number:
1158755-34-0
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD12406199
IUPAC Name:
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetic acid
InChI:
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-7-6-12-5-4-11(9-14(18)19)8-13(12)10-17/h4-5,8H,6-7,9-10H2,1-3H3,(H,18,19)
InChI Key:
GWWGBEWIQQTBEL-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cc(cc2)CC(=O)O)OC(C)(C)C
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties