3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid
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![3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/942fb5b71e7e49879860733ea82959ba.png "3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid")
3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid
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CAS No:
1119449-77-2
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Formula:
C17H23NO3
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Chemical Name:
3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid
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Synonyms:
2-Propenoic acid,3-[3-[(hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-;3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid
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CAS No:
3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid Basic Attributes
289.36942
289.37
2933990090
Computed Properties
Molecular Weight:289.4
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:289.16779360
Monoisotopic Mass:289.16779360
Topological Polar Surface Area:49.8
Heavy Atom Count:21
Complexity:348
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid
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