Homophthalic acid
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Homophthalic acid
structure -
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CAS No:
89-51-0
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Formula:
C9H8O4
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Chemical Name:
Homophthalic acid
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Synonyms:
Benzeneacetic acid,2-carboxy-;o-Toluic acid,α-carboxy-;2-Carboxybenzeneacetic acid;α-Carboxy-o-toluic acid;Homophthalic acid;Toluene-α,2-dicarboxylic acid;(2-Carboxyphenyl)acetic acid;(o-Carboxymethyl)benzoic acid;o-Carboxybenzeneacetic acid;NSC 149596;NSC 15185;NSC 401692;2-Carboxymethylbenzoic acid
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CAS No:
Characteristics
74.6
1.6
1.4±0.1 g/cm3
175-177 °C
389.5°C at 760 mmHg
203.5±17.4 °C
1.600
12 g/L (20 ºC)
Safety Information
NONH for all modes of transport
3
R36/37/38
S22-S24/25-S37/39-S26
CY1575590
Xi:Irritant;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Homophthalic acid Use and Manufacturing
antidepressant A remainder phthalic acid.
Benzeneacetic acid, 2-carboxy-: ACTIVE
Computed Properties
Molecular Weight:180.16
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:180.04225873
Monoisotopic Mass:180.04225873
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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