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2040-26-8 | 1-Propanone, 1-(4-methoxyphenyl)-2,2-dimethyl-
CAS No: 2040-26-8 Catalog No: AG00299E MDL No:MFCD03841166
Product Description
Catalog Number:
AG00299E
Chemical Name:
1-Propanone, 1-(4-methoxyphenyl)-2,2-dimethyl-
CAS Number:
2040-26-8
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD03841166
IUPAC Name:
1-(4-methoxyphenyl)-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C12H16O2/c1-12(2,3)11(13)9-5-7-10(14-4)8-6-9/h5-8H,1-4H3
InChI Key:
IJSLNFBUJUTKGK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C(C)(C)C
NSC Number:
177473
Properties
Complexity:
195
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:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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