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Home > Nitro Compounds > 2271-72-9
2271-72-9 | (6-Nitro-2,3-dihydro-benzo[1,4]dioxin-2-yl)-methanol
CAS No: 2271-72-9 Catalog No: AG01EUKB MDL No:
Product Description
Catalog Number:
AG01EUKB
Chemical Name:
(6-Nitro-2,3-dihydro-benzo[1,4]dioxin-2-yl)-methanol
CAS Number:
2271-72-9
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
(6-nitro-2,3-dihydro-1,4-benzodioxin-2-yl)methanol
InChI:
InChI=1S/C9H9NO5/c11-4-7-5-14-9-3-6(10(12)13)1-2-8(9)15-7/h1-3,7,11H,4-5H2
InChI Key:
QSRIKCXVBZGOJP-UHFFFAOYSA-N
SMILES:
OCC1COc2c(O1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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