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177532-29-5

177532-29-5 | 2-Pentenedioic acid, 4-ethyl-4-phenyl-, 1-ethyl 5-methyl ester, (2E,4S)-

CAS No: 177532-29-5 Catalog No: AG0025D8 MDL No:

Product Description

Catalog Number:
AG0025D8
Chemical Name:
2-Pentenedioic acid, 4-ethyl-4-phenyl-, 1-ethyl 5-methyl ester, (2E,4S)-
CAS Number:
177532-29-5
Molecular Formula:
C16H20O4
Molecular Weight:
276.3276
IUPAC Name:
1-O-ethyl 5-O-methyl (4S)-4-ethyl-4-phenylpent-2-enedioate
InChI:
InChI=1S/C16H20O4/c1-4-16(15(18)19-3,12-11-14(17)20-5-2)13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3/t16-/m0/s1
InChI Key:
NHRKNGMIYPSJBI-INIZCTEOSA-N
SMILES:
CCOC(=O)/C=C/[C@@](c1ccccc1)(C(=O)OC)CC

Properties

Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
276.136g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.332g/mol
Monoisotopic Mass:
276.136g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.1  

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