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Home > Nitro Compounds > 175278-48-5
175278-48-5 | 2-Propenoic acid, 3-[2-[4-(1,1-dimethylethyl)phenoxy]-5-nitrophenyl]-
CAS No: 175278-48-5 Catalog No: AG0020V9 MDL No:
Product Description
Catalog Number:
AG0020V9
Chemical Name:
2-Propenoic acid, 3-[2-[4-(1,1-dimethylethyl)phenoxy]-5-nitrophenyl]-
CAS Number:
175278-48-5
Molecular Formula:
C19H19NO5
Molecular Weight:
341.3579
IUPAC Name:
3-[2-(4-tert-butylphenoxy)-5-nitrophenyl]prop-2-enoic acid
InChI:
InChI=1S/C19H19NO5/c1-19(2,3)14-5-8-16(9-6-14)25-17-10-7-15(20(23)24)12-13(17)4-11-18(21)22/h4-12H,1-3H3,(H,21,22)
InChI Key:
SZGDDWIRYROLGK-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cc(ccc1Oc1ccc(cc1)C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.363g/mol
Monoisotopic Mass:
341.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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