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107845-67-0 | diethyl (Z)-but-2-enedioate; 2-ethenoxy-4-methyl-quinoline
CAS No: 107845-67-0 Catalog No: AG00849R MDL No:
Product Description
Catalog Number:
AG00849R
Chemical Name:
diethyl (Z)-but-2-enedioate; 2-ethenoxy-4-methyl-quinoline
CAS Number:
107845-67-0
Molecular Formula:
C20H23NO5
Molecular Weight:
357.4003
IUPAC Name:
diethyl but-2-enedioate;2-ethenoxy-4-methylquinoline
InChI:
InChI=1S/C12H11NO.C8H12O4/c1-3-14-12-8-9(2)10-6-4-5-7-11(10)13-12;1-3-11-7(9)5-6-8(10)12-4-2/h3-8H,1H2,2H3;5-6H,3-4H2,1-2H3
InChI Key:
JMAVXRNNVKAKAO-UHFFFAOYSA-N
SMILES:
C=COc1cc(C)c2c(n1)cccc2.CCOC(=O)/C=C\C(=O)OCC
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.406g/mol
Monoisotopic Mass:
357.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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