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114460-15-0 | 2-Propanol, 1-[4-(hydroxyamino)phenoxy]-3-[(1-methylethyl)amino]-, ethanedioate (1:1)
CAS No: 114460-15-0 Catalog No: AG000EGB MDL No:
Product Description
Catalog Number:
AG000EGB
Chemical Name:
2-Propanol, 1-[4-(hydroxyamino)phenoxy]-3-[(1-methylethyl)amino]-, ethanedioate (1:1)
CAS Number:
114460-15-0
Molecular Formula:
C14H22N2O7
Molecular Weight:
330.3337
IUPAC Name:
1-[4-(hydroxyamino)phenoxy]-3-(propan-2-ylamino)propan-2-ol;oxalic acid
InChI:
InChI=1S/C12H20N2O3.C2H2O4/c1-9(2)13-7-11(15)8-17-12-5-3-10(14-16)4-6-12;3-1(4)2(5)6/h3-6,9,11,13-16H,7-8H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
OQZQWKLDWJMFRS-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.ONc1ccc(cc1)OCC(CNC(C)C)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
330.337g/mol
Monoisotopic Mass:
330.143g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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