Home Nitros 2-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid

2-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid

CAS No.:
1267029-54-8
Catalog Number:
AG019T5D
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
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Product Description
Catalog Number:
AG019T5D
Chemical Name:
2-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CAS Number:
1267029-54-8
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD19374245
IUPAC Name:
2-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
InChI:
InChI=1S/C10H9NO6/c12-10(13)4-6-3-8-9(17-2-1-16-8)5-7(6)11(14)15/h3,5H,1-2,4H2,(H,12,13)
InChI Key:
YXBNHCODFVRXJK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc2OCCOc2cc1[N+](=O)[O-]
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties