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Home > Nitro Compounds > 274676-19-6
274676-19-6 | ethyl (2E)-4-(2-nitrophenoxy)but-2-enoate
CAS No: 274676-19-6 Catalog No: AG00IRYF MDL No:MFCD03787358
Product Description
Catalog Number:
AG00IRYF
Chemical Name:
ethyl (2E)-4-(2-nitrophenoxy)but-2-enoate
CAS Number:
274676-19-6
Molecular Formula:
C12H13NO5
Molecular Weight:
251.2353
MDL Number:
MFCD03787358
IUPAC Name:
ethyl 4-(2-nitrophenoxy)but-2-enoate
InChI:
InChI=1S/C12H13NO5/c1-2-17-12(14)8-5-9-18-11-7-4-3-6-10(11)13(15)16/h3-8H,2,9H2,1H3
InChI Key:
FMUJEYQDLKBWCS-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/COc1ccccc1[N+](=O)[O-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.238g/mol
Monoisotopic Mass:
251.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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