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68039-39-4 | ethyl(3s,4s)-3-(2-ethoxy-2-oxoethyl)-4-prop-1-en-2-yl-l-prolinate
CAS No: 68039-39-4 Catalog No: AG006GDZ MDL No:
Product Description
Catalog Number:
AG006GDZ
Chemical Name:
ethyl(3s,4s)-3-(2-ethoxy-2-oxoethyl)-4-prop-1-en-2-yl-l-prolinate
CAS Number:
68039-39-4
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
IUPAC Name:
8-tricyclo[5.2.1.02,6]dec-3-enyl 2-methylpropanoate
InChI:
InChI=1S/C14H20O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3-4,8-13H,5-7H2,1-2H3
InChI Key:
NOVRMYIRGSLBER-UHFFFAOYSA-N
SMILES:
CCOC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)OCC)C(=C)C
EC Number:
268-255-2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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