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113882-48-7 | 4-Pentenoic acid, phenylmethyl ester
CAS No: 113882-48-7 Catalog No: AG0009ZY MDL No:
Product Description
Catalog Number:
AG0009ZY
Chemical Name:
4-Pentenoic acid, phenylmethyl ester
CAS Number:
113882-48-7
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
benzyl pent-4-enoate
InChI:
InChI=1S/C12H14O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10H2
InChI Key:
XHZWDEGVEUATPY-UHFFFAOYSA-N
SMILES:
C=CCCC(=O)OCc1ccccc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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