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812642-72-1 | 2-(2-ETHOXY-4-FORMYL-6-NITROPHENOXY)PROPANOIC ACID
CAS No: 812642-72-1 Catalog No: AG00545T MDL No:MFCD05625241
Product Description
Catalog Number:
AG00545T
Chemical Name:
2-(2-ETHOXY-4-FORMYL-6-NITROPHENOXY)PROPANOIC ACID
CAS Number:
812642-72-1
Molecular Formula:
C12H13NO7
Molecular Weight:
283.2341
MDL Number:
MFCD05625241
IUPAC Name:
2-(2-ethoxy-4-formyl-6-nitrophenoxy)propanoic acid
InChI:
InChI=1S/C12H13NO7/c1-3-19-10-5-8(6-14)4-9(13(17)18)11(10)20-7(2)12(15)16/h4-7H,3H2,1-2H3,(H,15,16)
InChI Key:
ZCZIHDVSTSPBPF-UHFFFAOYSA-N
SMILES:
CCOc1cc(C=O)cc(c1OC(C(=O)O)C)[N+](=O)[O-]
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.236g/mol
Monoisotopic Mass:
283.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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