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3027-13-2 | 2-Propanone, 1-(3-methoxyphenyl)-
CAS No: 3027-13-2 Catalog No: AG002ZF5 MDL No:MFCD00008771
Product Description
Catalog Number:
AG002ZF5
Chemical Name:
2-Propanone, 1-(3-methoxyphenyl)-
CAS Number:
3027-13-2
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00008771
IUPAC Name:
1-(3-methoxyphenyl)propan-2-one
InChI:
InChI=1S/C10H12O2/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7H,6H2,1-2H3
InChI Key:
RMMRRRLPDBJBQL-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(=O)C
EC Number:
221-191-9
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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