3-[4-(1-Methylethyl)phenyl]-2-propenoic acid
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![3-[4-(1-Methylethyl)phenyl]-2-propenoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/83e32ca04c684214929d1b147092bc0f.png "3-[4-(1-Methylethyl)phenyl]-2-propenoic acid")
3-[4-(1-Methylethyl)phenyl]-2-propenoic acid
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CAS No:
3368-21-6
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Formula:
C12H14O2
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Chemical Name:
3-[4-(1-Methylethyl)phenyl]-2-propenoic acid
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Synonyms:
2-Propenoic acid,3-[4-(1-methylethyl)phenyl]-;Cinnamic acid,p-isopropyl-;3-[4-(1-Methylethyl)phenyl]-2-propenoic acid;p-Isopropylcinnamic acid;4-Isopropylcinnamic acid;NSC 216;3-(4-Isopropylphenyl)-2-propenoic acid;3-(4-Isopropylphenyl)acrylic acid
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CAS No:
3-[4-(1-Methylethyl)phenyl]-2-propenoic acid Basic Attributes
190.24
190.24
2046679
222-138-2
216
2916399090
Safety Information
IRRITANT
36/37/38
26-37/39
Xi
Irritant
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 (88.37%): 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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:190.24
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:190.099379685
Monoisotopic Mass:190.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:210
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[4-(1-Methylethyl)phenyl]-2-propenoic acid
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