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24634-65-9 | [4-(2-Nitro-vinyl)-phenoxy]-acetic acid ethyl ester
CAS No: 24634-65-9 Catalog No: AG01F8VI MDL No:
Product Description
Catalog Number:
AG01F8VI
Chemical Name:
[4-(2-Nitro-vinyl)-phenoxy]-acetic acid ethyl ester
CAS Number:
24634-65-9
Molecular Formula:
C12H13NO5
Molecular Weight:
251.2353
IUPAC Name:
ethyl 2-[4-(2-nitroethenyl)phenoxy]acetate
InChI:
InChI=1S/C12H13NO5/c1-2-17-12(14)9-18-11-5-3-10(4-6-11)7-8-13(15)16/h3-8H,2,9H2,1H3
InChI Key:
RTJCVJBPBFSVIQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccc(cc1)/C=C/[N+](=O)[O-]
Properties
Complexity:
302
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:
2.4
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