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125642-44-6 | Methanone, [3-(hydroxyphenylmethyl)bicyclo[1.1.1]pent-1-yl]phenyl-
CAS No: 125642-44-6 Catalog No: AG000O8M MDL No:
Product Description
Catalog Number:
AG000O8M
Chemical Name:
Methanone, [3-(hydroxyphenylmethyl)bicyclo[1.1.1]pent-1-yl]phenyl-
CAS Number:
125642-44-6
Molecular Formula:
C19H18O2
Molecular Weight:
278.3450
IUPAC Name:
[3-[hydroxy(phenyl)methyl]-1-bicyclo[1.1.1]pentanyl]-phenylmethanone
InChI:
InChI=1S/C19H18O2/c20-16(14-7-3-1-4-8-14)18-11-19(12-18,13-18)17(21)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2
InChI Key:
ALYNATYLKKNXIJ-UHFFFAOYSA-N
SMILES:
OC(C12CC(C1)(C2)C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.351g/mol
Monoisotopic Mass:
278.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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