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19839-58-8 | 5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro-6-(methylamino)-
CAS No: 19839-58-8 Catalog No: AG002BGX MDL No:
Product Description
Catalog Number:
AG002BGX
Chemical Name:
5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro-6-(methylamino)-
CAS Number:
19839-58-8
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
6-(methylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
InChI:
InChI=1S/C12H17NO/c1-13-11-8-4-6-9-5-2-3-7-10(9)12(11)14/h2-3,5,7,11-14H,4,6,8H2,1H3
InChI Key:
XDADRENDNHHVSV-UHFFFAOYSA-N
SMILES:
CNC1CCCc2c(C1O)cccc2
NSC Number:
107330
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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