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Home > Nitro Compounds > 765926-61-2
765926-61-2 | 3-[5-(2-Methoxy-4-nitro-phenyl)-furan-2-yl]-acrylic acid
CAS No: 765926-61-2 Catalog No: AG016KE6 MDL No:
Product Description
Catalog Number:
AG016KE6
Chemical Name:
3-[5-(2-Methoxy-4-nitro-phenyl)-furan-2-yl]-acrylic acid
CAS Number:
765926-61-2
Molecular Formula:
C14H11NO6
Molecular Weight:
289.2402
IUPAC Name:
(E)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoic acid
InChI:
InChI=1S/C14H11NO6/c1-20-13-8-9(15(18)19)2-5-11(13)12-6-3-10(21-12)4-7-14(16)17/h2-8H,1H3,(H,16,17)/b7-4+
InChI Key:
YJUUDNCOAPWQKX-QPJJXVBHSA-N
SMILES:
COc1cc(ccc1c1ccc(o1)/C=C/C(=O)O)[N+](=O)[O-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
289.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.243g/mol
Monoisotopic Mass:
289.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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