CHROMANE-2-CARBOXYLIC ACID
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CHROMANE-2-CARBOXYLIC ACID
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CAS No:
51939-71-0
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Formula:
C10H10O3
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Chemical Name:
CHROMANE-2-CARBOXYLIC ACID
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Synonyms:
CHROMANE-2-CARBOXYLIC ACID;IFLAB-BB F2108-0136;2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-;Chroman-2-carboxylic acid;3,4-Dihydro-2H-1-benzopyran-2-carboxylic acid;3,4-Dihydro-1-benzopyran-2-carboxylic acid
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CAS No:
Safety Information
22
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
CHROMANE-2-CARBOXYLIC ACID Use and Manufacturing
Chromane-2-carboxylic Acid is used in the synthesis of 4-quinazolinones as Rho kinase inhibitors for application towards glaucoma, hypertension and spinal cord injuries. It is also used in the preparation of chromanyl-benzamidazoles as anti-bacterial compounds.
Computed Properties
Molecular Weight:178.18
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:178.062994177
Monoisotopic Mass:178.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:202
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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