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921935-23-1

921935-23-1 | Butanal, 2-ethyl-4,4-dimethoxy-3-(nitromethyl)-, (2R,3R)-

CAS No: 921935-23-1 Catalog No: AG006FTE MDL No:

Product Description

Catalog Number:
AG006FTE
Chemical Name:
Butanal, 2-ethyl-4,4-dimethoxy-3-(nitromethyl)-, (2R,3R)-
CAS Number:
921935-23-1
Molecular Formula:
C9H17NO5
Molecular Weight:
219.2350
IUPAC Name:
(2R,3R)-2-ethyl-4,4-dimethoxy-3-(nitromethyl)butanal
InChI:
InChI=1S/C9H17NO5/c1-4-7(6-11)8(5-10(12)13)9(14-2)15-3/h6-9H,4-5H2,1-3H3/t7-,8-/m0/s1
InChI Key:
UTGMWDHEXUVWOH-YUMQZZPRSA-N
SMILES:
CC[C@H]([C@@H](C(OC)OC)C[N+](=O)[O-])C=O

Properties

Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
219.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.237g/mol
Monoisotopic Mass:
219.111g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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