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5653-66-7 | normacromerine
CAS No: 5653-66-7 Catalog No: AG003TAH MDL No:MFCD08060992
Product Description
Catalog Number:
AG003TAH
Chemical Name:
normacromerine
CAS Number:
5653-66-7
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
MDL Number:
MFCD08060992
IUPAC Name:
1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol
InChI:
InChI=1S/C11H17NO3/c1-12-7-9(13)8-4-5-10(14-2)11(6-8)15-3/h4-6,9,12-13H,7H2,1-3H3
InChI Key:
QSUCQAULQIAOEP-UHFFFAOYSA-N
SMILES:
CNCC(c1ccc(c(c1)OC)OC)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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