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114020-47-2 | 1,2-Benzenediol, 4-[2-(cyclopropylamino)ethyl]-
CAS No: 114020-47-2 Catalog No: AG000AAY MDL No:
Product Description
Catalog Number:
AG000AAY
Chemical Name:
1,2-Benzenediol, 4-[2-(cyclopropylamino)ethyl]-
CAS Number:
114020-47-2
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
4-[2-(cyclopropylamino)ethyl]benzene-1,2-diol
InChI:
InChI=1S/C11H15NO2/c13-10-4-1-8(7-11(10)14)5-6-12-9-2-3-9/h1,4,7,9,12-14H,2-3,5-6H2
InChI Key:
GGLXORVPGANCEH-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1O)CCNC1CC1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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