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Home > Nitro Compounds > 129943-30-2
129943-30-2 | Carbonic acid, 4-nitrophenyl 3-(3-pyridinyl)-2-propen-1-yl ester
CAS No: 129943-30-2 Catalog No: AG000TT9 MDL No:
Product Description
Catalog Number:
AG000TT9
Chemical Name:
Carbonic acid, 4-nitrophenyl 3-(3-pyridinyl)-2-propen-1-yl ester
CAS Number:
129943-30-2
Molecular Formula:
C15H12N2O5
Molecular Weight:
300.2662
IUPAC Name:
(4-nitrophenyl) 3-pyridin-3-ylprop-2-enyl carbonate
InChI:
InChI=1S/C15H12N2O5/c18-15(21-10-2-4-12-3-1-9-16-11-12)22-14-7-5-13(6-8-14)17(19)20/h1-9,11H,10H2
InChI Key:
KWUWTJAYHGSONR-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OCC=Cc1cccnc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.27g/mol
Monoisotopic Mass:
300.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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