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150009-16-8 | 1,2-Benzenediol, 4,4'-(3,4-pyrrolidinediyl)bis-, trans- (9CI)
CAS No: 150009-16-8 Catalog No: AG001M8L MDL No:
Product Description
Catalog Number:
AG001M8L
Chemical Name:
1,2-Benzenediol, 4,4'-(3,4-pyrrolidinediyl)bis-, trans- (9CI)
CAS Number:
150009-16-8
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
IUPAC Name:
4-[4-(3,4-dihydroxyphenyl)pyrrolidin-3-yl]benzene-1,2-diol
InChI:
InChI=1S/C16H17NO4/c18-13-3-1-9(5-15(13)20)11-7-17-8-12(11)10-2-4-14(19)16(21)6-10/h1-6,11-12,17-21H,7-8H2
InChI Key:
GDWXPDZDYKOTPH-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1O)[C@@H]1CNC[C@H]1c1ccc(c(c1)O)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
287.315g/mol
Monoisotopic Mass:
287.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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