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114672-06-9 | Cyclobutanecarboxylic acid, 1-[(4-hydroxyphenyl)methyl]-, ethyl ester
CAS No: 114672-06-9 Catalog No: AG000F04 MDL No:
Product Description
Catalog Number:
AG000F04
Chemical Name:
Cyclobutanecarboxylic acid, 1-[(4-hydroxyphenyl)methyl]-, ethyl ester
CAS Number:
114672-06-9
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
ethyl 1-[(4-hydroxyphenyl)methyl]cyclobutane-1-carboxylate
InChI:
InChI=1S/C14H18O3/c1-2-17-13(16)14(8-3-9-14)10-11-4-6-12(15)7-5-11/h4-7,15H,2-3,8-10H2,1H3
InChI Key:
JYFKHJCIBDJXND-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCC1)Cc1ccc(cc1)O
Properties
Complexity:
263
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:
0
XLogP3:
2.9
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