CAS
96618-91-6 Purity
96%
96618-91-6 Purity
96%
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Methyl 2-allyloxy-m-anisate
CAS
96619-89-5
Catalog Number
ACM96619895
Category
Other Products
Molecular Weight
222.237160 [g/mol]
Molecular Formula
C12H14O4
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Specification
Synonyms
Methyl 2-allyloxy-m-anisate, MolPort-001-783-097, EINECS 306-201-2, CID11264526, Methyl 3-methoxy-2-prop-2-enoxy-benzoate, 96619-89-5
IUPAC Name
methyl 3-methoxy-2-prop-2-enoxybenzoate
Canonical SMILES
COC1=CC=CC(=C1OCC=C)C(=O)OC
InChI Key
LAEJCXAEDSFVBW-UHFFFAOYSA-N
Boiling Point
315.1ºC at 760mmHg
Flash Point
136.7ºC
Density
1.092g/cm³
EC Number
306-201-2
Exact Mass
222.08900
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Methyl 2-allyloxy-m-anisate?
The molecular formula of Methyl 2-allyloxy-m-anisate is C12H14O4.
When was Methyl 2-allyloxy-m-anisate created?
Methyl 2-allyloxy-m-anisate was created on October 26, 2006.
What is the IUPAC name of Methyl 2-allyloxy-m-anisate?
The IUPAC name of Methyl 2-allyloxy-m-anisate is methyl 3-methoxy-2-prop-2-enoxybenzoate.
What is the InChIKey of Methyl 2-allyloxy-m-anisate?
The InChIKey of Methyl 2-allyloxy-m-anisate is LAEJCXAEDSFVBW-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Methyl 2-allyloxy-m-anisate have?
Methyl 2-allyloxy-m-anisate has 4 hydrogen bond acceptor counts.
What is the XLogP3 value of Methyl 2-allyloxy-m-anisate?
The XLogP3 value of Methyl 2-allyloxy-m-anisate is 2.7.
What is the formal charge of Methyl 2-allyloxy-m-anisate?
The formal charge of Methyl 2-allyloxy-m-anisate is 0.
How many rotatable bond counts does Methyl 2-allyloxy-m-anisate have?
Methyl 2-allyloxy-m-anisate has 6 rotatable bond counts.
Is Methyl 2-allyloxy-m-anisate a canonicalized compound?
Yes, Methyl 2-allyloxy-m-anisate is a canonicalized compound.
What is the topological polar surface area of Methyl 2-allyloxy-m-anisate?
The topological polar surface area of Methyl 2-allyloxy-m-anisate is 44.8 Å2.
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