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7508-83-0 | 2-METHOXY-3,3-DIMETHYL-2-[4-(4-NITROPHENYL)PHENYL]OXIRANE
CAS No: 7508-83-0 Catalog No: AG005ECV MDL No:
Product Description
Catalog Number:
AG005ECV
Chemical Name:
2-METHOXY-3,3-DIMETHYL-2-[4-(4-NITROPHENYL)PHENYL]OXIRANE
CAS Number:
7508-83-0
Molecular Formula:
C17H17NO4
Molecular Weight:
299.3212
IUPAC Name:
2-methoxy-3,3-dimethyl-2-[4-(4-nitrophenyl)phenyl]oxirane
InChI:
InChI=1S/C17H17NO4/c1-16(2)17(21-3,22-16)14-8-4-12(5-9-14)13-6-10-15(11-7-13)18(19)20/h4-11H,1-3H3
InChI Key:
IBKUAHHHJMVQLB-UHFFFAOYSA-N
SMILES:
COC1(OC1(C)C)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
407110
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.326g/mol
Monoisotopic Mass:
299.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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