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65474-79-5 | 3-Hydroxymethyl-β-carboline
CAS No: 65474-79-5 Catalog No: AG003JKN MDL No:MFCD00055074
Product Description
Catalog Number:
AG003JKN
Chemical Name:
3-Hydroxymethyl-β-carboline
CAS Number:
65474-79-5
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD00055074
IUPAC Name:
9H-pyrido[3,4-b]indol-3-ylmethanol
InChI:
InChI=1S/C12H10N2O/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13-8/h1-6,14-15H,7H2
InChI Key:
CPBYHTDUBNSBQM-UHFFFAOYSA-N
SMILES:
OCc1ncc2c(c1)c1ccccc1[nH]2
UNII:
00QJ5EQT3E
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| SPE/RP-HPLC using C1 columns: an environmentally friendly alternative to conventional reverse-phase separations for quantitation of beta-carboline alkaloids in human serum samples. | Analytical and bioanalytical chemistry 20110401 |
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