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100060-00-2 | 2(1H)-Isoquinolineethanol, 1-imino-
CAS No: 100060-00-2 Catalog No: AG0000SF MDL No:
Product Description
Catalog Number:
AG0000SF
Chemical Name:
2(1H)-Isoquinolineethanol, 1-imino-
CAS Number:
100060-00-2
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
2-(1-iminoisoquinolin-2-yl)ethanol
InChI:
InChI=1S/C11H12N2O/c12-11-10-4-2-1-3-9(10)5-6-13(11)7-8-14/h1-6,12,14H,7-8H2
InChI Key:
HDBOLKRWSGLJFC-UHFFFAOYSA-N
SMILES:
OCCn1ccc2c(c1=N)cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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