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15130-83-3 | 1,3-Benzenediol, 5-(2-aminoethyl)-2-methoxy-
CAS No: 15130-83-3 Catalog No: AG001N9D MDL No:
Product Description
Catalog Number:
AG001N9D
Chemical Name:
1,3-Benzenediol, 5-(2-aminoethyl)-2-methoxy-
CAS Number:
15130-83-3
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
5-(2-aminoethyl)-2-methoxybenzene-1,3-diol
InChI:
InChI=1S/C9H13NO3/c1-13-9-7(11)4-6(2-3-10)5-8(9)12/h4-5,11-12H,2-3,10H2,1H3
InChI Key:
GIHFHXFOWGWLMZ-UHFFFAOYSA-N
SMILES:
NCCc1cc(O)c(c(c1)O)OC
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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