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1501-42-4 | Propanedioic acid, 2-(2-quinoxalinylmethyl)-, 1,3-diethyl ester
CAS No: 1501-42-4 Catalog No: AG001MBH MDL No:
Product Description
Catalog Number:
AG001MBH
Chemical Name:
Propanedioic acid, 2-(2-quinoxalinylmethyl)-, 1,3-diethyl ester
CAS Number:
1501-42-4
Molecular Formula:
C16H18N2O4
Molecular Weight:
302.3251
IUPAC Name:
diethyl 2-(quinoxalin-2-ylmethyl)propanedioate
InChI:
InChI=1S/C16H18N2O4/c1-3-21-15(19)12(16(20)22-4-2)9-11-10-17-13-7-5-6-8-14(13)18-11/h5-8,10,12H,3-4,9H2,1-2H3
InChI Key:
XCRBSFVOBSMVRC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Cc1cnc2c(n1)cccc2
NSC Number:
86926
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.33g/mol
Monoisotopic Mass:
302.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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