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621-23-8 | 1,3,5-Trimethoxybenzene
CAS No: 621-23-8 Catalog No: AG003DGJ MDL No:MFCD00008385
Product Description
Catalog Number:
AG003DGJ
Chemical Name:
1,3,5-Trimethoxybenzene
CAS Number:
621-23-8
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD00008385
IUPAC Name:
1,3,5-trimethoxybenzene
InChI:
InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
InChI Key:
LKUDPHPHKOZXCD-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)OC
EC Number:
210-673-4
UNII:
00VJI3VG3D
NSC Number:
90060
Properties
Complexity:
91.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
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