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145826-89-7 | 3-Pentenoic acid, 2-oxo-5-(phenylmethoxy)-, ethyl ester, (3E)-
CAS No: 145826-89-7 Catalog No: AG001DFS MDL No:
Product Description
Catalog Number:
AG001DFS
Chemical Name:
3-Pentenoic acid, 2-oxo-5-(phenylmethoxy)-, ethyl ester, (3E)-
CAS Number:
145826-89-7
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
ethyl 2-oxo-5-phenylmethoxypent-3-enoate
InChI:
InChI=1S/C14H16O4/c1-2-18-14(16)13(15)9-6-10-17-11-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3
InChI Key:
IHCSJKMAWNZOMD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)/C=C/COCc1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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