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188635-59-8 | Ethanimidamide, N,N,N'-trimethyl-, (2Z)-2-butenedioate (1:1)
CAS No: 188635-59-8 Catalog No: AG002H24 MDL No:
Product Description
Catalog Number:
AG002H24
Chemical Name:
Ethanimidamide, N,N,N'-trimethyl-, (2Z)-2-butenedioate (1:1)
CAS Number:
188635-59-8
Molecular Formula:
C9H16N2O4
Molecular Weight:
216.2343
IUPAC Name:
but-2-enedioic acid;N,N,N'-trimethylethanimidamide
InChI:
InChI=1S/C5H12N2.C4H4O4/c1-5(6-2)7(3)4;5-3(6)1-2-4(7)8/h1-4H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
JWBDFGNCIOBQCP-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=O)O.CN=C(N(C)C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.237g/mol
Monoisotopic Mass:
216.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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