Structure

Penberol

CAS
42241-78-1
Catalog Number
ACM42241781
Category
Other Products
Molecular Weight
341.199
Molecular Formula
C15H17BrO4

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Specification

Synonyms
Penberol, NSC 172760, BRN 2132369, (E)-3-Bromo-4-oxo-4-(4-(pentyloxy)phenyl)-2-butenoic acid, 2-BUTENOIC ACID, 3-BROMO-4-OXO-4-(4-(PENTYLOXY)PHENYL)-, (E)-, 24740-92-9, Penberol, (E)-isomer, AC1O3ECE, C15H17BrO4, 42241-78-1, NSC172760, NSC-172760, LS-47095, beta-4-n-Pentoxybenzoyl-beta-bromacrylic acid, (Z)-3-bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid, 2-Butenoic acid, 3-bromo-4-oxo-4-(4-(pentyloxy)phenyl)-
IUPAC Name
(Z)-3-bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid
Canonical SMILES
CCCCCOC1=CC=C(C=C1)C(=O)C(=CC(=O)O)Br
InChI Key
KPUGJSNAPAAEJB-RAXLEYEMSA-N
Boiling Point
457.1ºC at 760mmHg
Flash Point
230.3ºC
Density
1.391g/cm³
Exact Mass
340.03100
H-Bond Acceptor
4
H-Bond Donor
1
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