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866478-89-9 | 4-Pentenoic acid, 2-hydroxy-, phenylmethyl ester
CAS No: 866478-89-9 Catalog No: AG004TY1 MDL No:
Product Description
Catalog Number:
AG004TY1
Chemical Name:
4-Pentenoic acid, 2-hydroxy-, phenylmethyl ester
CAS Number:
866478-89-9
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
benzyl 2-hydroxypent-4-enoate
InChI:
InChI=1S/C12H14O3/c1-2-6-11(13)12(14)15-9-10-7-4-3-5-8-10/h2-5,7-8,11,13H,1,6,9H2
InChI Key:
GHDXEJPQTDEKGZ-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)OCc1ccccc1)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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