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Home > Nitro Compounds > 893764-59-5
893764-59-5 | (2E)-3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]acrylic acid
CAS No: 893764-59-5 Catalog No: AG00JH2Q MDL No:MFCD07658071
Product Description
Catalog Number:
AG00JH2Q
Chemical Name:
(2E)-3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]acrylic acid
CAS Number:
893764-59-5
Molecular Formula:
C13H13NO7
Molecular Weight:
295.2448
MDL Number:
MFCD07658071
IUPAC Name:
(E)-3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]prop-2-enoic acid
InChI:
InChI=1S/C13H13NO7/c1-2-20-13(17)8-21-11-5-3-9(4-6-12(15)16)7-10(11)14(18)19/h3-7H,2,8H2,1H3,(H,15,16)/b6-4+
InChI Key:
BHXLLSVOHJUCBH-GQCTYLIASA-N
SMILES:
CCOC(=O)COc1ccc(cc1[N+](=O)[O-])/C=C/C(=O)O
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
295.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.247g/mol
Monoisotopic Mass:
295.069g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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