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31084-70-5 | Ethanimidic acid, N-(ethoxycarbonyl)-, ethyl ester
CAS No: 31084-70-5 Catalog No: AG003229 MDL No:
Product Description
Catalog Number:
AG003229
Chemical Name:
Ethanimidic acid, N-(ethoxycarbonyl)-, ethyl ester
CAS Number:
31084-70-5
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
IUPAC Name:
ethyl N-ethoxycarbonylethanimidate
InChI:
InChI=1S/C7H13NO3/c1-4-10-6(3)8-7(9)11-5-2/h4-5H2,1-3H3
InChI Key:
KYCDKCMASTUOPK-UHFFFAOYSA-N
SMILES:
CCOC(=NC(=O)OCC)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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