Home Carboxys 1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(phenylmethyl) ester, (1R)-

1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(phenylmethyl) ester, (1R)-

CAS No.:
151004-88-5
Catalog Number:
AG001N0C
Molecular Formula:
C18H16NO4-
Molecular Weight:
310.3239
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Product Description
Catalog Number:
AG001N0C
Chemical Name:
1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(phenylmethyl) ester, (1R)-
CAS Number:
151004-88-5
Molecular Formula:
C18H16NO4-
Molecular Weight:
310.3239
MDL Number:
MFCD07782024
IUPAC Name:
(1R)-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)/t16-/m1/s1
InChI Key:
ACQYZSFXPXXIHL-MRXNPFEDSA-N
SMILES:
O=C(N1CCc2c([C@@H]1C(=O)[O-])cccc2)OCc1ccccc1
Properties
Complexity:
433  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties