CAS
9920-09-6 Purity
96%
9920-09-6 Purity
96%
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3-Isoquinolinecarboxylicacid,7-amino-1,2,3,4-tetrahydro-1-oxo-,(S)-(9ci)
CAS
99206-27-6
Catalog Number
ACM99206276
Category
Other Products
Molecular Formula
C10H10N2O3
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Specification
Synonyms
3-Isoquinolinecarboxylicacid,7-amino-1,2,3,4-tetrahydro-1-oxo-,(S)-(9CI)
What is the molecular formula of 3-Isoquinolinecarboxylicacid,7-amino-1,2,3,4-tetrahydro-1-oxo-,(S)-(9ci)?
The molecular formula is C10H10N2O3.
What is the molecular weight of 3-Isoquinolinecarboxylicacid,7-amino-1,2,3,4-tetrahydro-1-oxo-,(S)-(9ci)?
The molecular weight is 206.20 g/mol.
What is the IUPAC name of 3-Isoquinolinecarboxylicacid,7-amino-1,2,3,4-tetrahydro-1-oxo-,(S)-(9ci)?
The IUPAC name is (3S)-7-amino-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid.
What is the InChI of 3-Isoquinolinecarboxylicacid,7-amino-1,2,3,4-tetrahydro-1-oxo-,(S)-(9ci)?
The InChI is InChI=1S/C10H10N2O3/c11-6-2-1-5-3-8(10(14)15)12-9(13)7(5)4-6/h1-2,4,8H,3,11H2,(H,12,13)(H,14,15)/t8-/m0/s1.
What is the InChIKey of 3-Isoquinolinecarboxylicacid,7-amino-1,2,3,4-tetrahydro-1-oxo-,(S)-(9ci)?
The InChIKey is IWCUEXJGQKWBET-QMMMGPOBSA-N.
What is the Canonical SMILES of 3-Isoquinolinecarboxylicacid,7-amino-1,2,3,4-tetrahydro-1-oxo-,(S)-(9ci)?
The Canonical SMILES is C1C(NC(=O)C2=C1C=CC(=C2)N)C(=O)O.
What is the XLogP3-AA value of 3-Isoquinolinecarboxylicacid,7-amino-1,2,3,4-tetrahydro-1-oxo-,(S)-(9ci)?
The XLogP3-AA value is 0.2.
How many hydrogen bond donor counts are there in 3-Isoquinolinecarboxylicacid,7-amino-1,2,3,4-tetrahydro-1-oxo-,(S)-(9ci)?
There are 3 hydrogen bond donor counts.
What is the topological polar surface area of 3-Isoquinolinecarboxylicacid,7-amino-1,2,3,4-tetrahydro-1-oxo-,(S)-(9ci)?
The topological polar surface area is 92.4 Ų.
Is 3-Isoquinolinecarboxylicacid,7-amino-1,2,3,4-tetrahydro-1-oxo-,(S)-(9ci) a canonicalized compound?
Yes, the compound is canonicalized.
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