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Home > Nitro Compounds > 51430-71-8
51430-71-8 | (5-nitro-2-phenyl-1,3-dioxan-5-yl)methanol
CAS No: 51430-71-8 Catalog No: AG00JGZ4 MDL No:MFCD01580841
Product Description
Catalog Number:
AG00JGZ4
Chemical Name:
(5-nitro-2-phenyl-1,3-dioxan-5-yl)methanol
CAS Number:
51430-71-8
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
MDL Number:
MFCD01580841
IUPAC Name:
(5-nitro-2-phenyl-1,3-dioxan-5-yl)methanol
InChI:
InChI=1S/C11H13NO5/c13-6-11(12(14)15)7-16-10(17-8-11)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChI Key:
GSYGDSOGHWKWBS-UHFFFAOYSA-N
SMILES:
OCC1(COC(OC1)c1ccccc1)[N+](=O)[O-]
NSC Number:
68481
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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