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Home > Nitro Compounds > 94407-04-2
94407-04-2 | 2-(1,3-dioxan-2-yl)-4-nitro-phenol
CAS No: 94407-04-2 Catalog No: AG00H7KN MDL No:
Product Description
Catalog Number:
AG00H7KN
Chemical Name:
2-(1,3-dioxan-2-yl)-4-nitro-phenol
CAS Number:
94407-04-2
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
IUPAC Name:
2-(1,3-dioxan-2-yl)-4-nitrophenol
InChI:
InChI=1S/C10H11NO5/c12-9-3-2-7(11(13)14)6-8(9)10-15-4-1-5-16-10/h2-3,6,10,12H,1,4-5H2
InChI Key:
DRGPRKWHEOQFQQ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C1OCCCO1)[N+](=O)[O-]
NSC Number:
114537
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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