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88953-89-3 | 4-Pentenoic acid, 3-(acetyloxy)-5-phenyl-, ethyl ester
CAS No: 88953-89-3 Catalog No: AG0047TI MDL No:
Product Description
Catalog Number:
AG0047TI
Chemical Name:
4-Pentenoic acid, 3-(acetyloxy)-5-phenyl-, ethyl ester
CAS Number:
88953-89-3
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
ethyl 3-acetyloxy-5-phenylpent-4-enoate
InChI:
InChI=1S/C15H18O4/c1-3-18-15(17)11-14(19-12(2)16)10-9-13-7-5-4-6-8-13/h4-10,14H,3,11H2,1-2H3
InChI Key:
KQOPYFFWBNJRSJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(OC(=O)C)C=Cc1ccccc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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