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921755-41-1 | Acetic acid, 2-nitro-2-(tetrahydro-4H-pyran-4-ylidene)-, ethyl ester
CAS No: 921755-41-1 Catalog No: AG006GPU MDL No:
Product Description
Catalog Number:
AG006GPU
Chemical Name:
Acetic acid, 2-nitro-2-(tetrahydro-4H-pyran-4-ylidene)-, ethyl ester
CAS Number:
921755-41-1
Molecular Formula:
C9H13NO5
Molecular Weight:
215.2032
IUPAC Name:
ethyl 2-nitro-2-(oxan-4-ylidene)acetate
InChI:
InChI=1S/C9H13NO5/c1-2-15-9(11)8(10(12)13)7-3-5-14-6-4-7/h2-6H2,1H3
InChI Key:
MTVUGLDBNULHQR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C1CCOCC1)[N+](=O)[O-]
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.205g/mol
Monoisotopic Mass:
215.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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