5-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
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5-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
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CAS No:
588698-05-9
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Formula:
C10H12O2S
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Chemical Name:
5-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
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CAS No:
5-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID Basic Attributes
196.26600
196.05580079
DTXSID00407393
2934999090
Safety Information
Xi
|Warning|H303 (50%): May be harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:196.27
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:196.05580079
Monoisotopic Mass:196.05580079
Topological Polar Surface Area:65.5
Heavy Atom Count:13
Complexity:217
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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