2-ethyl-4,6-dihydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
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2-ethyl-4,6-dihydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
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CAS No:
23824-36-4
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Formula:
C12H15NO4
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Chemical Name:
2-ethyl-4,6-dihydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
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Synonyms:
1-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-4,6-dihydroxy-2-ethyl; Isoquinaldic acid,1,2,3,4-tetrahydro-2-ethyl-4,6-dihydroxy; 2-ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;
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CAS No:
2-ethyl-4,6-dihydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Basic Attributes
237.25200
237.10010796 g/mol
2933499090
Computed Properties
Molecular Weight:237.25
XLogP3:-1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:237.10010796
Monoisotopic Mass:237.10010796
Topological Polar Surface Area:81
Heavy Atom Count:17
Complexity:296
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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