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115025-99-5 | 1-Naphthalenepropanoic acid, α-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester, ethanedioate (1:1)
CAS No: 115025-99-5 Catalog No: AG000FPG MDL No:
Product Description
Catalog Number:
AG000FPG
Chemical Name:
1-Naphthalenepropanoic acid, α-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester, ethanedioate (1:1)
CAS Number:
115025-99-5
Molecular Formula:
C32H35NO6
Molecular Weight:
529.6234
IUPAC Name:
2-(diethylamino)ethyl 3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoate;oxalic acid
InChI:
InChI=1S/C30H33NO2.C2H2O4/c1-3-31(4-2)19-20-33-30(32)27(21-25-15-9-13-23-11-5-7-17-28(23)25)22-26-16-10-14-24-12-6-8-18-29(24)26;3-1(4)2(5)6/h5-18,27H,3-4,19-22H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
FYUFQXSXPVAXSS-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCN(CCOC(=O)C(Cc1cccc2c1cccc2)Cc1cccc2c1cccc2)CC
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.246g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
529.633g/mol
Monoisotopic Mass:
529.246g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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