200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 217197-03-0
217197-03-0 | 2,5,5-trimethyl-2-(2-methyl-5-nitrophenyl)-1,3-dioxane
CAS No: 217197-03-0 Catalog No: AG01A5NL MDL No:MFCD24842985
Product Description
Catalog Number:
AG01A5NL
Chemical Name:
2,5,5-trimethyl-2-(2-methyl-5-nitrophenyl)-1,3-dioxane
CAS Number:
217197-03-0
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD24842985
IUPAC Name:
2,5,5-trimethyl-2-(2-methyl-5-nitrophenyl)-1,3-dioxane
InChI:
InChI=1S/C14H19NO4/c1-10-5-6-11(15(16)17)7-12(10)14(4)18-8-13(2,3)9-19-14/h5-7H,8-9H2,1-4H3
InChI Key:
CMCSWLBQDAOPHE-UHFFFAOYSA-N
SMILES:
CC1(OCC(CO1)(C)C)c1cc(ccc1C)[N+](=O)[O-]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.