Home Carboxys N-Cbz-3,4-dihydro-1h-isoquinolinecarboxylic acid

N-Cbz-3,4-dihydro-1h-isoquinolinecarboxylic acid

CAS No.:
22914-95-0
Catalog Number:
AG002LHC
Molecular Formula:
C18H16NO4-
Molecular Weight:
310.3239
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$138
- +
5g
97%
1 week
United States
$363
- +
Product Description
Catalog Number:
AG002LHC
Chemical Name:
N-Cbz-3,4-dihydro-1h-isoquinolinecarboxylic acid
CAS Number:
22914-95-0
Molecular Formula:
C18H16NO4-
Molecular Weight:
310.3239
MDL Number:
MFCD07782025
IUPAC Name:
2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
InChI:
InChI=1S/C18H17NO4/c20-17(21)16-15-9-5-4-8-14(15)10-11-19(16)18(22)23-12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,21)
InChI Key:
ACQYZSFXPXXIHL-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1C(=O)[O-])cccc2)OCc1ccccc1
Properties
Complexity:
433  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties