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1363381-57-0 | Cyclobutanecarboxylic acid, 3-[(phenylmethoxy)methyl]-
CAS No: 1363381-57-0 Catalog No: AG0011OC MDL No:MFCD20926178
Product Description
Catalog Number:
AG0011OC
Chemical Name:
Cyclobutanecarboxylic acid, 3-[(phenylmethoxy)methyl]-
CAS Number:
1363381-57-0
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD20926178
IUPAC Name:
3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C13H16O3/c14-13(15)12-6-11(7-12)9-16-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,14,15)
InChI Key:
XHFZODBRACUFTI-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(C1)COCc1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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