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23671-90-1 | 1H-Inden-1-ol, 2,3-dihydro-2-(methylamino)-, trans- (9CI)
CAS No: 23671-90-1 Catalog No: AG002O32 MDL No:
Product Description
Catalog Number:
AG002O32
Chemical Name:
1H-Inden-1-ol, 2,3-dihydro-2-(methylamino)-, trans- (9CI)
CAS Number:
23671-90-1
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
IUPAC Name:
(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-ol
InChI:
InChI=1S/C10H13NO/c1-11-9-6-7-4-2-3-5-8(7)10(9)12/h2-5,9-12H,6H2,1H3/t9-,10-/m1/s1
InChI Key:
MVXMWBCEMDLFPP-NXEZZACHSA-N
SMILES:
CN[C@@H]1Cc2c([C@H]1O)cccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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