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18992-80-8 | Ethanone, 1-[3-(dimethylamino)phenyl]-
CAS No: 18992-80-8 Catalog No: AG002E46 MDL No:MFCD00059343
Product Description
Catalog Number:
AG002E46
Chemical Name:
Ethanone, 1-[3-(dimethylamino)phenyl]-
CAS Number:
18992-80-8
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD00059343
IUPAC Name:
1-[3-(dimethylamino)phenyl]ethanone
InChI:
InChI=1S/C10H13NO/c1-8(12)9-5-4-6-10(7-9)11(2)3/h4-7H,1-3H3
InChI Key:
KYEMJVGXLJXCSM-UHFFFAOYSA-N
SMILES:
CN(c1cccc(c1)C(=O)C)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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