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125604-06-0 | Ethanone, 1-[3-(hydroxymethyl)phenyl]-
CAS No: 125604-06-0 Catalog No: AG000NY3 MDL No:MFCD13176507
Product Description
Catalog Number:
AG000NY3
Chemical Name:
Ethanone, 1-[3-(hydroxymethyl)phenyl]-
CAS Number:
125604-06-0
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD13176507
IUPAC Name:
1-[3-(hydroxymethyl)phenyl]ethanone
InChI:
InChI=1S/C9H10O2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5,10H,6H2,1H3
InChI Key:
HVDBVWZKUQYGPL-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)C(=O)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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