85801-39-4
(E)-4-(1H-PYRROL-1-YL)-2-BUTENOIC ACID ETHYL ESTER
Name
(E)-4-(1H-PYRROL-1-YL)-2-BUTENOIC ACID ETHYL ESTER
Formula
C10 H13 N O2
MolWeight
179.218
1Identification
【Name】
(E)-4-(1H-PYRROL-1-YL)-2-BUTENOIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD13178408
【English Synonyms】
【Formula】
C10 H13 N O2
【MolWeight】
179.218
【Inchi】
InChI=1S/C10H13NO2/c1-2-13-10(12)6-5-9-11-7-3-4-8-11/h3-8H,2,9H2,1H3/b6-5+
【InChIKey】
InChIKey=QMCJJMSVWAWHAA-AATRIKPKSA-N
【SMILES】
CCOC(=O)/C=C/Cn1cccc1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-4-(1H-PYRROL-1-YL)-2-BUTENOIC ACID ETHYL ESTER.cml
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