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1086375-87-2 | Ethyl (3E)-3-(Isopropylimino)-2-oxopropanoate
CAS No: 1086375-87-2 Catalog No: AG01FA7V MDL No:
Product Description
Catalog Number:
AG01FA7V
Chemical Name:
Ethyl (3E)-3-(Isopropylimino)-2-oxopropanoate
CAS Number:
1086375-87-2
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
ethyl 2-oxo-3-propan-2-yliminopropanoate
InChI:
InChI=1S/C8H13NO3/c1-4-12-8(11)7(10)5-9-6(2)3/h5-6H,4H2,1-3H3
InChI Key:
VRAPQTRZHYCZEJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)/C=N/C(C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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