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87268-80-2 | 1,3-Diazete-2,4-diacetic acid, dimethyl ester
CAS No: 87268-80-2 Catalog No: AG004PWP MDL No:
Product Description
Catalog Number:
AG004PWP
Chemical Name:
1,3-Diazete-2,4-diacetic acid, dimethyl ester
CAS Number:
87268-80-2
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
IUPAC Name:
methyl 2-[4-(2-methoxy-2-oxoethyl)-1,3-diazet-2-yl]acetate
InChI:
InChI=1S/C8H10N2O4/c1-13-7(11)3-5-9-6(10-5)4-8(12)14-2/h3-4H2,1-2H3
InChI Key:
OIJRNLXWJJJTPY-UHFFFAOYSA-N
SMILES:
COC(=O)CC1=NC(=N1)CC(=O)OC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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