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114672-01-4 | Cyclobutanecarboxylic acid, 1-(phenylmethyl)-, ethyl ester
CAS No: 114672-01-4 Catalog No: AG000F06 MDL No:MFCD21090369
Product Description
Catalog Number:
AG000F06
Chemical Name:
Cyclobutanecarboxylic acid, 1-(phenylmethyl)-, ethyl ester
CAS Number:
114672-01-4
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
MDL Number:
MFCD21090369
IUPAC Name:
ethyl 1-benzylcyclobutane-1-carboxylate
InChI:
InChI=1S/C14H18O2/c1-2-16-13(15)14(9-6-10-14)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChI Key:
UFLUNUGZKBCZRC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCC1)Cc1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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