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The molecular formula of 3-Pyrrolidin-1-ylacrylic acid methyl ester is C8H13NO2.
The molecular weight of 3-Pyrrolidin-1-ylacrylic acid methyl ester is 155.19 g/mol.
The IUPAC name of 3-Pyrrolidin-1-ylacrylic acid methyl ester is methyl (E)-3-pyrrolidin-1-ylprop-2-enoate.
The InChI of 3-Pyrrolidin-1-ylacrylic acid methyl ester is InChI=1S/C8H13NO2/c1-11-8(10)4-7-9-5-2-3-6-9/h4,7H,2-3,5-6H2,1H3/b7-4+.
The InChIKey of 3-Pyrrolidin-1-ylacrylic acid methyl ester is NUKQGQGCRCXGMN-QPJJXVBHSA-N.
The canonical SMILES of 3-Pyrrolidin-1-ylacrylic acid methyl ester is COC(=O)C=CN1CCCC1.
The isomeric SMILES of 3-Pyrrolidin-1-ylacrylic acid methyl ester is COC(=O)/C=C/N1CCCC1.
The CAS number of 3-Pyrrolidin-1-ylacrylic acid methyl ester is 90087-77-7.
The XLogP3-AA of 3-Pyrrolidin-1-ylacrylic acid methyl ester is 1.
No, 3-Pyrrolidin-1-ylacrylic acid methyl ester does not have a hydrogen bond donor count as computed by Cactvs 3.4.6.11.
9008-74-0
90087-65-3
90087-72-2
90090-64-5
9009-12-5
900-91-4
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