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88738-08-3 | (4-Chlorophenyl)(5-hydroxycyclopent-1-en-1-yl)methanone
CAS No: 88738-08-3 Catalog No: AG004E4X MDL No:
Product Description
Catalog Number:
AG004E4X
Chemical Name:
(4-Chlorophenyl)(5-hydroxycyclopent-1-en-1-yl)methanone
CAS Number:
88738-08-3
Molecular Formula:
C12H11ClO2
Molecular Weight:
222.6675
IUPAC Name:
(4-chlorophenyl)-(5-hydroxycyclopenten-1-yl)methanone
InChI:
InChI=1S/C12H11ClO2/c13-9-6-4-8(5-7-9)12(15)10-2-1-3-11(10)14/h2,4-7,11,14H,1,3H2
InChI Key:
BQUHHDLLKDFQIS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)C1=CCCC1O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.668g/mol
Monoisotopic Mass:
222.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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