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16861-34-0 | Acetic acid, 2-[[4-(2-nitro-1-propen-1-yl)-1-naphthalenyl]oxy]-, ethyl ester
CAS No: 16861-34-0 Catalog No: AG001Y5X MDL No:
Product Description
Catalog Number:
AG001Y5X
Chemical Name:
Acetic acid, 2-[[4-(2-nitro-1-propen-1-yl)-1-naphthalenyl]oxy]-, ethyl ester
CAS Number:
16861-34-0
Molecular Formula:
C17H17NO5
Molecular Weight:
315.3206
IUPAC Name:
ethyl 2-[4-(2-nitroprop-1-enyl)naphthalen-1-yl]oxyacetate
InChI:
InChI=1S/C17H17NO5/c1-3-22-17(19)11-23-16-9-8-13(10-12(2)18(20)21)14-6-4-5-7-15(14)16/h4-10H,3,11H2,1-2H3
InChI Key:
QCWITBLXLXGWBQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccc(c2c1cccc2)C=C([N+](=O)[O-])C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.325g/mol
Monoisotopic Mass:
315.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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