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2503-46-0 | 2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-
CAS No: 2503-46-0 Catalog No: AG002Q85 MDL No:MFCD00130260
Product Description
Catalog Number:
AG002Q85
Chemical Name:
2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-
CAS Number:
2503-46-0
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00130260
IUPAC Name:
1-(4-hydroxy-3-methoxyphenyl)propan-2-one
InChI:
InChI=1S/C10H12O3/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6,12H,5H2,1-2H3
InChI Key:
LFVCJQWZGDLHSD-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)CC(=O)C
EC Number:
219-704-6
UNII:
0626DKI6FE
NSC Number:
16690
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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