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Home > Nitro Compounds > 1423024-54-7
1423024-54-7 | methyl 4-nitro-3-(oxan-4-yl)butanoate
CAS No: 1423024-54-7 Catalog No: AG01A2JC MDL No:MFCD22628355
Product Description
Catalog Number:
AG01A2JC
Chemical Name:
methyl 4-nitro-3-(oxan-4-yl)butanoate
CAS Number:
1423024-54-7
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
MDL Number:
MFCD22628355
IUPAC Name:
methyl 4-nitro-3-(oxan-4-yl)butanoate
InChI:
InChI=1S/C10H17NO5/c1-15-10(12)6-9(7-11(13)14)8-2-4-16-5-3-8/h8-9H,2-7H2,1H3
InChI Key:
WJIYWVPGYXYBEV-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C1CCOCC1)C[N+](=O)[O-]
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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