Home Carboxys 2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

CAS No.:
182161-83-7
Catalog Number:
AG01B4DG
Molecular Formula:
C25H21NO4
Molecular Weight:
399.4385
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Product Description
Catalog Number:
AG01B4DG
Chemical Name:
2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CAS Number:
182161-83-7
Molecular Formula:
C25H21NO4
Molecular Weight:
399.4385
MDL Number:
MFCD09927476
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
InChI:
InChI=1S/C25H21NO4/c27-24(28)23-17-8-2-1-7-16(17)13-14-26(23)25(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23H,13-15H2,(H,27,28)
InChI Key:
AGSTVRGPOSEJQQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1N(CCc2c1cccc2)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
629  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.147g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
399.446g/mol
Monoisotopic Mass:
399.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties