Home Carboxys (1S,2S)-2-(Anthracene-2,3-dicarboximido)cyclohexanecarboxylic acid

(1S,2S)-2-(Anthracene-2,3-dicarboximido)cyclohexanecarboxylic acid

CAS No.:
446044-45-7
Catalog Number:
AG003BIY
Molecular Formula:
C23H19NO4
Molecular Weight:
373.4013
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
>97.0%(HPLC)
1 week
United States
$538
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Product Description
Catalog Number:
AG003BIY
Chemical Name:
(1S,2S)-2-(Anthracene-2,3-dicarboximido)cyclohexanecarboxylic acid
CAS Number:
446044-45-7
Molecular Formula:
C23H19NO4
Molecular Weight:
373.4013
MDL Number:
MFCD08276261
IUPAC Name:
(1S,2S)-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-/m0/s1
InChI Key:
IIJKRPVAVXANME-PXNSSMCTSA-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  
Properties