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125575-08-8 | 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-, compd. with N-[2-(diethylamino)ethyl]-4-ethoxybenzenecarboximidamide (1:1) (9CI)
CAS No: 125575-08-8 Catalog No: AG000NWO MDL No:
Product Description
Catalog Number:
AG000NWO
Chemical Name:
2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-, compd. with N-[2-(diethylamino)ethyl]-4-ethoxybenzenecarboximidamide (1:1) (9CI)
CAS Number:
125575-08-8
IUPAC Name:
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;N'-[2-(diethylamino)ethyl]-4-ethoxybenzenecarboximidamide
InChI:
InChI=1S/C23H16O6.C15H25N3O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-4-18(5-2)12-11-17-15(16)13-7-9-14(10-8-13)19-6-3/h1-10,24-25H,11H2,(H,26,27)(H,28,29);7-10H,4-6,11-12H2,1-3H3,(H2,16,17)
InChI Key:
QKBGMJGOMHGKOE-UHFFFAOYSA-N
Properties
Complexity:
825
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
651.294g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
651.76g/mol
Monoisotopic Mass:
651.294g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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