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Home > Nitro Compounds > 823808-12-4
823808-12-4 | 2-Propen-1-one, 1,3-bis[4-[[11-[(4-nitrobenzoyl)oxy]undecyl]oxy]phenyl]-
CAS No: 823808-12-4 Catalog No: AG004Y0R MDL No:
Product Description
Catalog Number:
AG004Y0R
Chemical Name:
2-Propen-1-one, 1,3-bis[4-[[11-[(4-nitrobenzoyl)oxy]undecyl]oxy]phenyl]-
CAS Number:
823808-12-4
Molecular Formula:
C51H62N2O11
Molecular Weight:
879.0448
IUPAC Name:
11-[4-[3-[4-[11-(4-nitrobenzoyl)oxyundecoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]undecyl 4-nitrobenzoate
InChI:
InChI=1S/C51H62N2O11/c54-49(42-26-34-48(35-27-42)62-38-16-12-8-4-2-6-10-14-18-40-64-51(56)44-24-30-46(31-25-44)53(59)60)36-21-41-19-32-47(33-20-41)61-37-15-11-7-3-1-5-9-13-17-39-63-50(55)43-22-28-45(29-23-43)52(57)58/h19-36H,1-18,37-40H2
InChI Key:
YUVUUYNUJIEMPU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)OCCCCCCCCCCCOC(=O)c1ccc(cc1)[N+](=O)[O-])C=Cc1ccc(cc1)OCCCCCCCCCCCOC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
1330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
878.435g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
879.06g/mol
Monoisotopic Mass:
878.435g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
14.7
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