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Home > Nitro Compounds > 18483-99-3
18483-99-3 | 2H-Pyran, tetrahydro-2-[(4-nitrophenyl)methoxy]-
CAS No: 18483-99-3 Catalog No: AG00I1IK MDL No:MFCD27946518
Product Description
Catalog Number:
AG00I1IK
Chemical Name:
2H-Pyran, tetrahydro-2-[(4-nitrophenyl)methoxy]-
CAS Number:
18483-99-3
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
MDL Number:
MFCD27946518
IUPAC Name:
2-[(4-nitrophenyl)methoxy]oxane
InChI:
InChI=1S/C12H15NO4/c14-13(15)11-6-4-10(5-7-11)9-17-12-3-1-2-8-16-12/h4-7,12H,1-3,8-9H2
InChI Key:
RZXKNTZXSUCTFP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)COC1CCCCO1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Regio- and stereoselective oxidation of unactivated C-H bonds with Rhodococcus rhodochrous. | Beilstein journal of organic chemistry 20120101 |
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