cis-1,2-Cyclohexanedicarboxylic acid
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cis-1,2-Cyclohexanedicarboxylic acid
structure -
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CAS No:
610-09-3
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Formula:
C8H12O4
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Chemical Name:
cis-1,2-Cyclohexanedicarboxylic acid
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Synonyms:
1,2-Cyclohexanedicarboxylic acid,(1R,2S)-rel-;1,2-Cyclohexanedicarboxylic acid,cis-;rel-(1R,2S)-1,2-Cyclohexanedicarboxylic acid;cis-1,2-Cyclohexanedicarboxylic acid;cis-Hexahydrophthalic acid;NSC 57637;cis-1,2-Cyclohexanedioic acid;207518-99-8
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CAS No:
Characteristics
74.6
0.9
1.3±0.1 g/cm3
191 °C
130-132 °C @ Press: 9 Torr
200.3±22.4 °C
1.521
>2g/L(20 ºC)
Safety Information
36/37/38
S24/25
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|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 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|Danger|H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
cis-1,2-Cyclohexanedicarboxylic acid Use and Manufacturing
1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:172.18
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:74.6
Heavy Atom Count:12
Complexity:177
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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cis-1,2-Cyclohexanedicarboxylic acid
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