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Home > Aldehydes > 133332-19-1
133332-19-1 | Benzaldehyde, 3-(cyclopentyloxy)-4-nitro-
CAS No: 133332-19-1 Catalog No: AG0014PB MDL No:
Product Description
Catalog Number:
AG0014PB
Chemical Name:
Benzaldehyde, 3-(cyclopentyloxy)-4-nitro-
CAS Number:
133332-19-1
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
3-cyclopentyloxy-4-nitrobenzaldehyde
InChI:
InChI=1S/C12H13NO4/c14-8-9-5-6-11(13(15)16)12(7-9)17-10-3-1-2-4-10/h5-8,10H,1-4H2
InChI Key:
XNYZREOCKUKFCP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OC1CCCC1)[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:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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