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446044-44-6

446044-44-6 | (1R,2R)-2-(1,3-Dioxo-1H-naphtho[2,3-f]isoindol-2(3H)-yl)cyclohexanecarboxylic acid

CAS No: 446044-44-6 Catalog No: AG003BGD MDL No:

Product Description

Catalog Number:
AG003BGD
Chemical Name:
(1R,2R)-2-(1,3-Dioxo-1H-naphtho[2,3-f]isoindol-2(3H)-yl)cyclohexanecarboxylic acid
CAS Number:
446044-44-6
Molecular Formula:
C23H19NO4
Molecular Weight:
373.4013
IUPAC Name:
(1R,2R)-2-(1,3-dioxonaphtho[2,3-f]isoindol-2-yl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C23H19NO4/c25-21-18-11-15-9-13-5-1-2-6-14(13)10-16(15)12-19(18)22(26)24(21)20-8-4-3-7-17(20)23(27)28/h1-2,5-6,9-12,17,20H,3-4,7-8H2,(H,27,28)/t17-,20-/m1/s1
InChI Key:
IIJKRPVAVXANME-YLJYHZDGSA-N
SMILES:
OC(=O)[C@@H]1CCCC[C@H]1N1C(=O)c2c(C1=O)cc1c(c2)cc2c(c1)cccc2

Properties

Complexity:
636  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
373.131g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
373.408g/mol
Monoisotopic Mass:
373.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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