3-Cyanocinnamic acid
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3-Cyanocinnamic acid
structure -
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CAS No:
16642-93-6
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Formula:
C10H7NO2
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Chemical Name:
3-Cyanocinnamic acid
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Synonyms:
RARECHEM BK HW 0149;2-PROPENOIC ACID, 3-(3-CYANOPHENYL)-;3-CYANOCINNAMIC ACID;AKOS BAR-2476;3-(3-Cyanophenyl)acrylic acid;3-CyanocinnaMic acid, 98%+;(E)-3-(3-cyanophenyl)acrylic acid
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CAS No:
Characteristics
61.1
1.83
1.26±0.1 g/cm3(Predicted)
357.9±25.0 °C(Predicted)
170.3±23.2 °C
1.597
0mmHg at 25°C
Computed Properties
Molecular Weight:173.17
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:173.047678466
Monoisotopic Mass:173.047678466
Topological Polar Surface Area:61.1
Heavy Atom Count:13
Complexity:261
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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