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18917-76-5

18917-76-5 | Benzene, 1,3-dimethoxy-5-(2-nitro-1-propen-1-yl)-

CAS No: 18917-76-5 Catalog No: AG002HZT MDL No:MFCD00052911

Product Description

Catalog Number:
AG002HZT
Chemical Name:
Benzene, 1,3-dimethoxy-5-(2-nitro-1-propen-1-yl)-
CAS Number:
18917-76-5
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD00052911
IUPAC Name:
1,3-dimethoxy-5-[(E)-2-nitroprop-1-enyl]benzene
InChI:
InChI=1S/C11H13NO4/c1-8(12(13)14)4-9-5-10(15-2)7-11(6-9)16-3/h4-7H,1-3H3/b8-4+
InChI Key:
COWWUDOIMZXGFM-XBXARRHUSA-N
SMILES:
COc1cc(C=C([N+](=O)[O-])C)cc(c1)OC
NSC Number:
658453

Properties

Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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