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870-85-9 | (E);-Ethyl 3-(methylamino);but-2-enoate
CAS No: 870-85-9 Catalog No: AG003Q65 MDL No:MFCD03060877
Product Description
Catalog Number:
AG003Q65
Chemical Name:
(E);-Ethyl 3-(methylamino);but-2-enoate
CAS Number:
870-85-9
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
MDL Number:
MFCD03060877
IUPAC Name:
ethyl (E)-3-(methylamino)but-2-enoate
InChI:
InChI=1S/C7H13NO2/c1-4-10-7(9)5-6(2)8-3/h5,8H,4H2,1-3H3/b6-5+
InChI Key:
FARYTWBWLZAXNK-AATRIKPKSA-N
SMILES:
CCOC(=O)/C=C(/NC)\C
NSC Number:
61982
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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