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140169-09-1 | 3-Cyclopenten-1-one, 2-(hydroxyphenylmethyl)-
CAS No: 140169-09-1 Catalog No: AG001C3E MDL No:
Product Description
Catalog Number:
AG001C3E
Chemical Name:
3-Cyclopenten-1-one, 2-(hydroxyphenylmethyl)-
CAS Number:
140169-09-1
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
2-[hydroxy(phenyl)methyl]cyclopent-3-en-1-one
InChI:
InChI=1S/C12H12O2/c13-11-8-4-7-10(11)12(14)9-5-2-1-3-6-9/h1-7,10,12,14H,8H2
InChI Key:
ARXVQEYWDVWUHN-UHFFFAOYSA-N
SMILES:
OC(C1C=CCC1=O)c1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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