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83027-05-8 | 2-Hexenoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester, (E)-
CAS No: 83027-05-8 Catalog No: AG0053L9 MDL No:
Product Description
Catalog Number:
AG0053L9
Chemical Name:
2-Hexenoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester, (E)-
CAS Number:
83027-05-8
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
IUPAC Name:
ethyl 2-(phenylmethoxycarbonylamino)hex-2-enoate
InChI:
InChI=1S/C16H21NO4/c1-3-5-11-14(15(18)20-4-2)17-16(19)21-12-13-9-7-6-8-10-13/h6-11H,3-5,12H2,1-2H3,(H,17,19)
InChI Key:
HEJUKDRJKOLVBS-UHFFFAOYSA-N
SMILES:
CCC/C=C(\C(=O)OCC)/NC(=O)OCc1ccccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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