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88652-96-4 | Butanoic acid, 2-(4-morpholinylmethylene)-, ethyl ester, (E)-
CAS No: 88652-96-4 Catalog No: AG0048XT MDL No:
Product Description
Catalog Number:
AG0048XT
Chemical Name:
Butanoic acid, 2-(4-morpholinylmethylene)-, ethyl ester, (E)-
CAS Number:
88652-96-4
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
IUPAC Name:
ethyl 2-(morpholin-4-ylmethylidene)butanoate
InChI:
InChI=1S/C11H19NO3/c1-3-10(11(13)15-4-2)9-12-5-7-14-8-6-12/h9H,3-8H2,1-2H3
InChI Key:
ZQGIKPITJIRLBX-UHFFFAOYSA-N
SMILES:
CC/C(=C\N1CCOCC1)/C(=O)OCC
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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