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Home > Indoles and Oxindole > 1609402-71-2
1609402-71-2 | 6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrate
CAS No: 1609402-71-2 Catalog No: AG00J0YY MDL No:MFCD13193776
Product Description
Catalog Number:
AG00J0YY
Chemical Name:
6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrate
CAS Number:
1609402-71-2
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD13193776
IUPAC Name:
6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrate
InChI:
InChI=1S/C12H14N2.H2O/c1-8-3-2-4-9-10-7-13-6-5-11(10)14-12(8)9;/h2-4,13-14H,5-7H2,1H3;1H2
InChI Key:
LNPSFIXQJIQFFY-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1[nH]c1c2CNCC1.O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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