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30611-26-8 | 1-Pentanone, 1-[4-(hydroxymethyl)phenyl]-
CAS No: 30611-26-8 Catalog No: AG0030O4 MDL No:
Product Description
Catalog Number:
AG0030O4
Chemical Name:
1-Pentanone, 1-[4-(hydroxymethyl)phenyl]-
CAS Number:
30611-26-8
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
1-[4-(hydroxymethyl)phenyl]pentan-1-one
InChI:
InChI=1S/C12H16O2/c1-2-3-4-12(14)11-7-5-10(9-13)6-8-11/h5-8,13H,2-4,9H2,1H3
InChI Key:
BYSLWXPWWUUPTH-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1ccc(cc1)CO
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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