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Home > Nitro Compounds > 546072-97-3
546072-97-3 | (S)-(7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol
CAS No: 546072-97-3 Catalog No: AG01DJP6 MDL No:
Product Description
Catalog Number:
AG01DJP6
Chemical Name:
(S)-(7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol
CAS Number:
546072-97-3
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
[(3S)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
InChI:
InChI=1S/C9H9NO5/c11-4-7-5-14-8-2-1-6(10(12)13)3-9(8)15-7/h1-3,7,11H,4-5H2/t7-/m0/s1
InChI Key:
OTKMWYJAIRWTNV-ZETCQYMHSA-N
SMILES:
[O-][N+](=O)c1cc2O[C@@H](CO)COc2cc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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