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CY2

CAS No.:
260430-02-2
Catalog Number:
AG002RHY
Molecular Formula:
C25H26N2O4
Molecular Weight:
418.4849
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$423
- +
10mg
98%
1 week
United States
$661
- +
25mg
98%
1 week
United States
$1168
- +
Product Description
Catalog Number:
AG002RHY
Chemical Name:
CY2
CAS Number:
260430-02-2
Molecular Formula:
C25H26N2O4
Molecular Weight:
418.4849
MDL Number:
MFCD29472574
IUPAC Name:
6-[2-[(E,3E)-3-(3-ethyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]hexanoate
InChI:
InChI=1S/C25H26N2O4/c1-2-26-19-11-5-7-13-21(19)30-23(26)15-10-16-24-27(18-9-3-4-17-25(28)29)20-12-6-8-14-22(20)31-24/h5-8,10-16H,2-4,9,17-18H2,1H3
InChI Key:
WORLWSFCGZCFSW-UHFFFAOYSA-N
SMILES:
CC[n+]1c(/C=C/C=c\2/oc3c(n2CCCCCC(=O)[O-])cccc3)oc2c1cccc2
Properties
Complexity:
658  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
418.189g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.493g/mol
Monoisotopic Mass:
418.189g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  
Properties