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Home > Nitro Compounds > 893765-31-6
893765-31-6 | 1-[(2,6-dimethyl-4-nitrophenoxy)acetyl]pyrrolidine
CAS No: 893765-31-6 Catalog No: AG00JH25 MDL No:MFCD07658144
Product Description
Catalog Number:
AG00JH25
Chemical Name:
1-[(2,6-dimethyl-4-nitrophenoxy)acetyl]pyrrolidine
CAS Number:
893765-31-6
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
MDL Number:
MFCD07658144
IUPAC Name:
2-(2,6-dimethyl-4-nitrophenoxy)-1-pyrrolidin-1-ylethanone
InChI:
InChI=1S/C14H18N2O4/c1-10-7-12(16(18)19)8-11(2)14(10)20-9-13(17)15-5-3-4-6-15/h7-8H,3-6,9H2,1-2H3
InChI Key:
GZTRLIQGWGMLJW-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)COc1c(C)cc(cc1C)[N+](=O)[O-]
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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