CAS
93313-04-3 Purity
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93313-04-3 Purity
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2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
CAS
93316-40-6
Catalog Number
ACM93316406
Category
Other Products
Molecular Weight
281.31
Molecular Formula
C17H15NO3
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Specification
Synonyms
AKOS BC-2972;2-BENZOYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID;TIMTEC-BB SBB012218
What is the molecular formula of 2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
C17H15NO3
What is the molecular weight of 2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
281.30 g/mol
What is the IUPAC name of 2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
What is the InChI of 2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
InChI=1S/C17H15NO3/c19-16(12-6-2-1-3-7-12)18-11-14-9-5-4-8-13(14)10-15(18)17(20)21/h1-9,15H,10-11H2,(H,20,21)
What is the InChIKey of 2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
QBBPKILWLZTVIC-UHFFFAOYSA-N
What is the canonical SMILES of 2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)O
What is the ChEMBL ID of 2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
CHEMBL1536711
What is the XLogP3-AA value of 2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
2.5
How many hydrogen bond donor count does 2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid have?
1
How many hydrogen bond acceptor count does 2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid have?
3
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