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116002-90-5 | 2,3-Naphthalenediol, 6-(dipropylamino)-5,6,7,8-tetrahydro-, (R)- (9CI)
CAS No: 116002-90-5 Catalog No: AG000BD5 MDL No:
Product Description
Catalog Number:
AG000BD5
Chemical Name:
2,3-Naphthalenediol, 6-(dipropylamino)-5,6,7,8-tetrahydro-, (R)- (9CI)
CAS Number:
116002-90-5
Molecular Formula:
C16H25NO2
Molecular Weight:
263.3752
IUPAC Name:
6-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-2,3-diol
InChI:
InChI=1S/C16H25NO2/c1-3-7-17(8-4-2)14-6-5-12-10-15(18)16(19)11-13(12)9-14/h10-11,14,18-19H,3-9H2,1-2H3
InChI Key:
YNJJGTRJAAGQAD-UHFFFAOYSA-N
SMILES:
CCCN([C@@H]1CCc2c(C1)cc(c(c2)O)O)CCC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.189g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.381g/mol
Monoisotopic Mass:
263.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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