CAS
98086-36-3 Purity
96%
98086-36-3 Purity
96%
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[1-(2-Propen-1-yloxy)-3-buten-1-yl]benzene
CAS
98088-48-3
Catalog Number
ACM98088483
Category
Other Products
Molecular Weight
188.265540 [g/mol]
Molecular Formula
C13H16O
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Specification
Synonyms
(1-ALLYLOXY-BUT-3-ENYL)-BENZENE, 98088-48-3, [1-(Allyloxy)-3-butenyl]benzene, AC1LBGI1, SureCN7760225, CTK5H9708, 1-prop-2-enoxybut-3-enylbenzene, AKOS006289346, AG-H-98844, Benzene, [1-(2-propenyloxy)-3-butenyl]-
IUPAC Name
1-prop-2-enoxybut-3-enylbenzene
Canonical SMILES
C=CCC(C1=CC=CC=C1)OCC=C
InChI Key
VQJJJPBNIXFEFB-UHFFFAOYSA-N
Exact Mass
188.12000
H-Bond Acceptor
1
H-Bond Donor
0
What is the IUPAC name of the compound?
1-prop-2-enoxybut-3-enylbenzene.
What is the molecular weight of the compound?
The molecular weight of the compound is 188.26 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H16O/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h3-7,9-10,13H,1-2,8,11H2.
What is the InChIKey of the compound?
The InChIKey of the compound is VQJJJPBNIXFEFB-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C=CCC(C1=CC=CC=C1)OCC=C.
What is the CAS number of the compound?
The CAS number of the compound is 98088-48-3.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.4.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
Is the compound a canonicalized compound?
Yes, the compound is canonicalized.
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