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89457-04-5 | Acetic acid, (4-nitrophenoxy)-, compd. with N,N-diethylethanamine(1:1)
CAS No: 89457-04-5 Catalog No: AG00443D MDL No:
Product Description
Catalog Number:
AG00443D
Chemical Name:
Acetic acid, (4-nitrophenoxy)-, compd. with N,N-diethylethanamine(1:1)
CAS Number:
89457-04-5
Molecular Formula:
C14H22N2O5
Molecular Weight:
298.3349
IUPAC Name:
N,N-diethylethanamine;2-(4-nitrophenoxy)acetic acid
InChI:
InChI=1S/C8H7NO5.C6H15N/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13;1-4-7(5-2)6-3/h1-4H,5H2,(H,10,11);4-6H2,1-3H3
InChI Key:
IGWOWZDBGBLMGA-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)[N+](=O)[O-].CCN(CC)CC
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.153g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.339g/mol
Monoisotopic Mass:
298.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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