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7509-46-8 | DIMETHYL (Z)-2-[(6-FORMYLBENZO[1,3]DIOXOL-5-YL)AMINO]BUT-2-ENEDIOATE
CAS No: 7509-46-8 Catalog No: AG0056LY MDL No:
Product Description
Catalog Number:
AG0056LY
Chemical Name:
DIMETHYL (Z)-2-[(6-FORMYLBENZO[1,3]DIOXOL-5-YL)AMINO]BUT-2-ENEDIOATE
CAS Number:
7509-46-8
Molecular Formula:
C14H13NO7
Molecular Weight:
307.2555
IUPAC Name:
dimethyl (Z)-2-[(6-formyl-1,3-benzodioxol-5-yl)amino]but-2-enedioate
InChI:
InChI=1S/C14H13NO7/c1-19-13(17)5-10(14(18)20-2)15-9-4-12-11(21-7-22-12)3-8(9)6-16/h3-6,15H,7H2,1-2H3/b10-5-
InChI Key:
HKAYCZZMQFSIFK-YHYXMXQVSA-N
SMILES:
COC(=O)/C(=C/C(=O)OC)/Nc1cc2OCOc2cc1C=O
NSC Number:
407391
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
307.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.258g/mol
Monoisotopic Mass:
307.069g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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