3-Phenylglutaric acid
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3-Phenylglutaric acid
structure -
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CAS No:
4165-96-2
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Formula:
C11H12O4
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Chemical Name:
3-Phenylglutaric acid
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Synonyms:
Pentanedioic acid,3-phenyl-;Glutaric acid,3-phenyl-;3-Phenylpentanedioic acid;β-Phenylglutaric acid;3-Phenylglutaric acid
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CAS No:
Characteristics
74.60000
0.57
Tan powder.
1.3±0.1 g/cm3
140 °C
359.4±22.0 °C at 760 mmHg
185.3±18.8 °C
1.567
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
3
S24/25
Stable under normal temperatures and pressures.
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 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:208.21
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:208.07355886
Monoisotopic Mass:208.07355886
Topological Polar Surface Area:74.6
Heavy Atom Count:15
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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