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114012-82-7 | Ethanone, 1-(3-hydroxy-4,5-dimethoxyphenyl)-
CAS No: 114012-82-7 Catalog No: AG000ABI MDL No:MFCD11052884
Product Description
Catalog Number:
AG000ABI
Chemical Name:
Ethanone, 1-(3-hydroxy-4,5-dimethoxyphenyl)-
CAS Number:
114012-82-7
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD11052884
IUPAC Name:
1-(3-hydroxy-4,5-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C10H12O4/c1-6(11)7-4-8(12)10(14-3)9(5-7)13-2/h4-5,12H,1-3H3
InChI Key:
HACSOPAIMQVSTM-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)O)C(=O)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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