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Home > Nitro Compounds > 874999-48-1
874999-48-1 | 3-[5-(2-Methyl-5-nitro-phenyl)-furan-2-yl]-acrylic acid
CAS No: 874999-48-1 Catalog No: AG016KBQ MDL No:
Product Description
Catalog Number:
AG016KBQ
Chemical Name:
3-[5-(2-Methyl-5-nitro-phenyl)-furan-2-yl]-acrylic acid
CAS Number:
874999-48-1
Molecular Formula:
C14H11NO5
Molecular Weight:
273.2408
IUPAC Name:
3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enoic acid
InChI:
InChI=1S/C14H11NO5/c1-9-2-3-10(15(18)19)8-12(9)13-6-4-11(20-13)5-7-14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
HTUVPHPOOKWVEL-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1ccc(o1)c1cc(ccc1C)[N+](=O)[O-]
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
2.8
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