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128217-53-8 | 2-Pentenoic acid, 5-(phenylmethoxy)-, methyl ester, (2E)-
CAS No: 128217-53-8 Catalog No: AG000XUW MDL No:
Product Description
Catalog Number:
AG000XUW
Chemical Name:
2-Pentenoic acid, 5-(phenylmethoxy)-, methyl ester, (2E)-
CAS Number:
128217-53-8
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
methyl 5-phenylmethoxypent-2-enoate
InChI:
InChI=1S/C13H16O3/c1-15-13(14)9-5-6-10-16-11-12-7-3-2-4-8-12/h2-5,7-9H,6,10-11H2,1H3
InChI Key:
RVALDTQCCVGPIC-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/CCOCc1ccccc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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