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Home > Nitro Compounds > 292641-22-6
292641-22-6 | 2-Propenoic acid, 3-[5-(2-methyl-4-nitrophenyl)-2-furanyl]-
CAS No: 292641-22-6 Catalog No: AG002XVY MDL No:MFCD00696012
Product Description
Catalog Number:
AG002XVY
Chemical Name:
2-Propenoic acid, 3-[5-(2-methyl-4-nitrophenyl)-2-furanyl]-
CAS Number:
292641-22-6
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
MDL Number:
MFCD00696012
IUPAC Name:
(E)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enoic acid
InChI:
InChI=1S/C14H11NO5/c1-9-8-10(15(18)19)2-5-12(9)13-6-3-11(20-13)4-7-14(16)17/h2-8H,1H3,(H,16,17)/b7-4+
InChI Key:
CGSJRTMBJMQGOB-QPJJXVBHSA-N
SMILES:
OC(=O)C=Cc1ccc(o1)c1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
273.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.244g/mol
Monoisotopic Mass:
273.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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