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921935-29-7

921935-29-7 | 4-Decenal, 2-[(1R)-2,2-dimethoxy-1-(nitromethyl)ethyl]-, (2R,4E)-

CAS No: 921935-29-7 Catalog No: AG006FTC MDL No:

Product Description

Catalog Number:
AG006FTC
Chemical Name:
4-Decenal, 2-[(1R)-2,2-dimethoxy-1-(nitromethyl)ethyl]-, (2R,4E)-
CAS Number:
921935-29-7
Molecular Formula:
C15H27NO5
Molecular Weight:
301.3786
IUPAC Name:
(2R)-2-[(2R)-1,1-dimethoxy-3-nitropropan-2-yl]dec-4-enal
InChI:
InChI=1S/C15H27NO5/c1-4-5-6-7-8-9-10-13(12-17)14(11-16(18)19)15(20-2)21-3/h8-9,12-15H,4-7,10-11H2,1-3H3/t13-,14-/m0/s1
InChI Key:
GVDVWGLTYNNCDG-KBPBESRZSA-N
SMILES:
CCCCC/C=C/C[C@H]([C@@H](C(OC)OC)C[N+](=O)[O-])C=O

Properties

Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
301.189g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.383g/mol
Monoisotopic Mass:
301.189g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3  

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