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Home > Nitro Compounds > 104274-21-7
104274-21-7 | (2E)-3-(2-ethoxy-5-nitrophenyl)acrylic acid
CAS No: 104274-21-7 Catalog No: AG00JKAV MDL No:MFCD02256081
Product Description
Catalog Number:
AG00JKAV
Chemical Name:
(2E)-3-(2-ethoxy-5-nitrophenyl)acrylic acid
CAS Number:
104274-21-7
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
MDL Number:
MFCD02256081
IUPAC Name:
(E)-3-(2-ethoxy-5-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H11NO5/c1-2-17-10-5-4-9(12(15)16)7-8(10)3-6-11(13)14/h3-7H,2H2,1H3,(H,13,14)/b6-3+
InChI Key:
UMXNLKBDMNEXIT-ZZXKWVIFSA-N
SMILES:
CCOc1ccc(cc1/C=C/C(=O)O)[N+](=O)[O-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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