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866082-53-3 | 4-Pentenoic acid, 5-(4-hydroxy-3,5-dimethylphenyl)-, methyl ester
CAS No: 866082-53-3 Catalog No: AG004P0O MDL No:
Product Description
Catalog Number:
AG004P0O
Chemical Name:
4-Pentenoic acid, 5-(4-hydroxy-3,5-dimethylphenyl)-, methyl ester
CAS Number:
866082-53-3
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate
InChI:
InChI=1S/C14H18O3/c1-10-8-12(9-11(2)14(10)16)6-4-5-7-13(15)17-3/h4,6,8-9,16H,5,7H2,1-3H3
InChI Key:
QVRHRCYQKPJDNA-UHFFFAOYSA-N
SMILES:
COC(=O)CCC=Cc1cc(C)c(c(c1)C)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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