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Home > Indoles and Oxindole > 94071-15-5
94071-15-5 | 2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-1-PROPANOL
CAS No: 94071-15-5 Catalog No: AG006SO6 MDL No:
Product Description
Catalog Number:
AG006SO6
Chemical Name:
2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-1-PROPANOL
CAS Number:
94071-15-5
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-ol
InChI:
InChI=1S/C14H18N2O/c17-9-3-6-13-14-11(7-8-15-13)10-4-1-2-5-12(10)16-14/h1-2,4-5,13,15-17H,3,6-9H2
InChI Key:
XQJOQBSYNVJACP-UHFFFAOYSA-N
SMILES:
OCCCC1NCCc2c1[nH]c1c2cccc1
EC Number:
301-816-2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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