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89048-33-9 | 1,4-Benzenediol, 2-[(dimethylamino)methyl]-5,6-dimethoxy-3-methyl-
CAS No: 89048-33-9 Catalog No: AG00431R MDL No:
Product Description
Catalog Number:
AG00431R
Chemical Name:
1,4-Benzenediol, 2-[(dimethylamino)methyl]-5,6-dimethoxy-3-methyl-
CAS Number:
89048-33-9
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
IUPAC Name:
2-[(dimethylamino)methyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
InChI:
InChI=1S/C12H19NO4/c1-7-8(6-13(2)3)10(15)12(17-5)11(16-4)9(7)14/h14-15H,6H2,1-5H3
InChI Key:
KFNNCPDVBYPHGR-UHFFFAOYSA-N
SMILES:
COc1c(O)c(CN(C)C)c(c(c1OC)O)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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