3-(4-METHYLBENZOYL)ACRYLIC ACID
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3-(4-METHYLBENZOYL)ACRYLIC ACID
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CAS No:
20972-36-5
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Formula:
C11H10O3
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Chemical Name:
3-(4-METHYLBENZOYL)ACRYLIC ACID
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Synonyms:
OTAVA-BB BB7110952593;TRANS-3-(4-METHYLBENZOYL)ACRYLIC ACID;AURORA 23286;(E)-4-(4-METHYLPHENYL)-4-OXO-2-BUTENOIC ACID;(E)-4-OXO-4-P-TOLYLBUT-2-ENOIC ACID;AKOS BBS-00002156;(2E)-4-(4-METHYLPHENYL)-4-OXOBUT-2-ENOIC ACID;3-(4-METHYLBENZOYL)ACRYLIC ACID
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CAS No:
Characteristics
54.4
1.81850
1.2g/cm3
138-140 °C(lit.)
361.8ºC at 760 mmHg
186.8ºC
1.569
7.24E-06mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-22
26-37/39
Xi,Xn
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|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 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:190.19
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:190.062994177
Monoisotopic Mass:190.062994177
Topological Polar Surface Area:54.4
Heavy Atom Count:14
Complexity:247
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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