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Home > Aldehydes > 130570-42-2
130570-42-2 | Benzaldehyde, 3-ethoxy-6-nitro-2-(phenylmethoxy)-
CAS No: 130570-42-2 Catalog No: AG000UN1 MDL No:
Product Description
Catalog Number:
AG000UN1
Chemical Name:
Benzaldehyde, 3-ethoxy-6-nitro-2-(phenylmethoxy)-
CAS Number:
130570-42-2
Molecular Formula:
C16H15NO5
Molecular Weight:
301.2940
IUPAC Name:
3-ethoxy-6-nitro-2-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C16H15NO5/c1-2-21-15-9-8-14(17(19)20)13(10-18)16(15)22-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChI Key:
NRDWNEPJYZPMKF-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1OCc1ccccc1)C=O)[N+](=O)[O-]
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.298g/mol
Monoisotopic Mass:
301.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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