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80879-55-6 | Benzaldehyde,4,5-bis(hexyloxy)-2-nitro-
CAS No: 80879-55-6 Catalog No: AG0057BP MDL No:
Product Description
Catalog Number:
AG0057BP
Chemical Name:
Benzaldehyde,4,5-bis(hexyloxy)-2-nitro-
CAS Number:
80879-55-6
Molecular Formula:
C19H29NO5
Molecular Weight:
351.4373
IUPAC Name:
4,5-dihexoxy-2-nitrobenzaldehyde
InChI:
InChI=1S/C19H29NO5/c1-3-5-7-9-11-24-18-13-16(15-21)17(20(22)23)14-19(18)25-12-10-8-6-4-2/h13-15H,3-12H2,1-2H3
InChI Key:
QAHWYUZOCUJCSW-UHFFFAOYSA-N
SMILES:
CCCCCCOc1cc([N+](=O)[O-])c(cc1OCCCCCC)C=O
EC Number:
279-609-0
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.443g/mol
Monoisotopic Mass:
351.205g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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