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Home > Nitro Compounds > 83872-05-3
83872-05-3 | 2-Propenoic acid, 2-methoxy-3-(3-nitrophenyl)-
CAS No: 83872-05-3 Catalog No: AG004RUJ MDL No:
Product Description
Catalog Number:
AG004RUJ
Chemical Name:
2-Propenoic acid, 2-methoxy-3-(3-nitrophenyl)-
CAS Number:
83872-05-3
Molecular Formula:
C10H9NO5
Molecular Weight:
223.1822
IUPAC Name:
2-methoxy-3-(3-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H9NO5/c1-16-9(10(12)13)6-7-3-2-4-8(5-7)11(14)15/h2-6H,1H3,(H,12,13)
InChI Key:
MFRVMOQLYRTWQD-UHFFFAOYSA-N
SMILES:
COC(=Cc1cccc(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.184g/mol
Monoisotopic Mass:
223.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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