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84182-47-8 | cis-3-(Benzyloxy)cyclobutanecarboxylic acid
CAS No: 84182-47-8 Catalog No: AG004P40 MDL No:MFCD16038555
Product Description
Catalog Number:
AG004P40
Chemical Name:
cis-3-(Benzyloxy)cyclobutanecarboxylic acid
CAS Number:
84182-47-8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD16038555
IUPAC Name:
3-phenylmethoxycyclobutane-1-carboxylic acid
InChI:
InChI=1S/C12H14O3/c13-12(14)10-6-11(7-10)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
InChI Key:
YNNOFVDQHAHVFG-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1C[C@@H](C1)OCc1ccccc1
Properties
Complexity:
215
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:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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