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73953-93-2 | but-2-enedioic acid; N,N-diethyl-2-[3-(2-furyl)-2-naphthalen-2-yl-propoxy]ethanamine
CAS No: 73953-93-2 Catalog No: AG005AGM MDL No:
Product Description
Catalog Number:
AG005AGM
Chemical Name:
but-2-enedioic acid; N,N-diethyl-2-[3-(2-furyl)-2-naphthalen-2-yl-propoxy]ethanamine
CAS Number:
73953-93-2
Molecular Formula:
C27H33NO6
Molecular Weight:
467.5540
IUPAC Name:
but-2-enedioic acid;N,N-diethyl-2-[3-(furan-2-yl)-2-naphthalen-2-ylpropoxy]ethanamine
InChI:
InChI=1S/C23H29NO2.C4H4O4/c1-3-24(4-2)13-15-25-18-22(17-23-10-7-14-26-23)21-12-11-19-8-5-6-9-20(19)16-21;5-3(6)1-2-4(7)8/h5-12,14,16,22H,3-4,13,15,17-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
JOMVPCJSQWVZMA-UHFFFAOYSA-N
SMILES:
OC(=O)C=CC(=O)O.CCN(CCOCC(c1ccc2c(c1)cccc2)Cc1ccco1)CC
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.231g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
467.562g/mol
Monoisotopic Mass:
467.231g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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