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Home > Nitro Compounds > 330646-72-5
330646-72-5 | 4-(4-Nitrophenyl)-1,3-dioxan-5-ol
CAS No: 330646-72-5 Catalog No: AG00I6DJ MDL No:MFCD01896134
Product Description
Catalog Number:
AG00I6DJ
Chemical Name:
4-(4-Nitrophenyl)-1,3-dioxan-5-ol
CAS Number:
330646-72-5
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD01896134
IUPAC Name:
4-(4-nitrophenyl)-1,3-dioxan-5-ol
InChI:
InChI=1S/C10H11NO5/c12-9-5-15-6-16-10(9)7-1-3-8(4-2-7)11(13)14/h1-4,9-10,12H,5-6H2
InChI Key:
JEAGEBJAKVKMBE-UHFFFAOYSA-N
SMILES:
OC1COCOC1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
246
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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