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3-(Ethoxycarbonylamino)-2-heptensaeure-ethylester structure
3-(Ethoxycarbonylamino)-2-heptensaeure-ethylester structure

3-(Ethoxycarbonylamino)-2-heptensaeure-ethylester

CAS No.: 72139-60-7
Molecular Weight:243.303
Modify Date.: 2022-11-06 20:00
1. Names and Identifiers
1.1 Name
3-(Ethoxycarbonylamino)-2-heptensaeure-ethylester
1.2 CAS No.
72139-60-7
1.3 Molecular Formula
C12H21NO4 (isomer)
1.4 Inchi
InChI=1S/C12H21NO4/c1-4-7-8-10(9-11(14)16-5-2)13-12(15)17-6-3/h9H,4-8H2,1-3H3,(H,13,15)/b10-9+
1.5 InChIkey
KWPGWDHPKXKOMM-MDZDMXLPSA-N
1.6 Canonical Smiles
CCCCC(NC(=O)OCC)=CC(=O)OCC
1.7 Isomers Smiles
CCCCC(NC(=O)OCC)=CC(=O)OCC
2. Properties
2.1 Precise Quality
243.14700
2.1 PSA
64.63000
2.1 logP
2.76060
4. Realated Product Infomation