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Home > Nitro Compounds > 921935-25-3
921935-25-3 | Undecanal, 2-[(1R)-2,2-dimethoxy-1-(nitromethyl)ethyl]-, (2R)-
CAS No: 921935-25-3 Catalog No: AG006FTD MDL No:
Product Description
Catalog Number:
AG006FTD
Chemical Name:
Undecanal, 2-[(1R)-2,2-dimethoxy-1-(nitromethyl)ethyl]-, (2R)-
CAS Number:
921935-25-3
Molecular Formula:
C16H31NO5
Molecular Weight:
317.4210
IUPAC Name:
(2R)-2-[(2R)-1,1-dimethoxy-3-nitropropan-2-yl]undecanal
InChI:
InChI=1S/C16H31NO5/c1-4-5-6-7-8-9-10-11-14(13-18)15(12-17(19)20)16(21-2)22-3/h13-16H,4-12H2,1-3H3/t14-,15-/m0/s1
InChI Key:
PWTGQVDAPCKRFB-GJZGRUSLSA-N
SMILES:
CCCCCCCCC[C@H]([C@@H](C(OC)OC)C[N+](=O)[O-])C=O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
317.22g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.426g/mol
Monoisotopic Mass:
317.22g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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