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149022-16-2 | 9H-Pyrido[3,4-b]indol-7-ol, 1-methyl-, hydrochloride, hydrate (1:1:2)
CAS No: 149022-16-2 Catalog No: AG001LCR MDL No:MFCD00150058
Product Description
Catalog Number:
AG001LCR
Chemical Name:
9H-Pyrido[3,4-b]indol-7-ol, 1-methyl-, hydrochloride, hydrate (1:1:2)
CAS Number:
149022-16-2
Molecular Formula:
C12H15ClN2O3
Molecular Weight:
270.7121
MDL Number:
MFCD00150058
IUPAC Name:
1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;dihydrate;hydrochloride
InChI:
InChI=1S/C12H10N2O.ClH.2H2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;;;/h2-6,13-14H,1H3;1H;2*1H2
InChI Key:
OITPZRQHDRVLMO-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)[nH]c1c2ccnc1C.O.O.Cl
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
270.713g/mol
Monoisotopic Mass:
270.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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