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88790-22-1 | 1,2-Cycloheptanediol, 3-(4-aminophenoxy)-
CAS No: 88790-22-1 Catalog No: AG004B1D MDL No:
Product Description
Catalog Number:
AG004B1D
Chemical Name:
1,2-Cycloheptanediol, 3-(4-aminophenoxy)-
CAS Number:
88790-22-1
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
3-(4-aminophenoxy)cycloheptane-1,2-diol
InChI:
InChI=1S/C13H19NO3/c14-9-5-7-10(8-6-9)17-12-4-2-1-3-11(15)13(12)16/h5-8,11-13,15-16H,1-4,14H2
InChI Key:
SVTHPIRDAIWRAJ-UHFFFAOYSA-N
SMILES:
OC1CCCCC(C1O)Oc1ccc(cc1)N
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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