CAS
91133-15-2 Purity
96%
91133-15-2 Purity
96%
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Methyl 5-acetamido-2-methylbenzoate
CAS
91133-72-1
Catalog Number
ACM91133721
Category
Other Products
Molecular Weight
207.2258
Molecular Formula
C11H13NO3
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Specification
Synonyms
NSC25174, MolPort-001-828-528, CID230358, 91133-72-1
IUPAC Name
methyl 5-acetamido-2-methylbenzoate
InChI Key
RFSDXBQPVJXKRJ-UHFFFAOYSA-N
Boiling Point
371.2ºC at 760mmHg
Flash Point
178.3ºC
Density
1.172g/cm³
Exact Mass
207.09000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Methyl 5-acetamido-2-methylbenzoate?
The molecular formula is C11H13NO3.
What is the molecular weight of Methyl 5-acetamido-2-methylbenzoate?
The molecular weight is 207.23 g/mol.
What is the IUPAC name of Methyl 5-acetamido-2-methylbenzoate?
The IUPAC name is methyl 5-acetamido-2-methylbenzoate.
What is the InChIKey of Methyl 5-acetamido-2-methylbenzoate?
The InChIKey is RFSDXBQPVJXKRJ-UHFFFAOYSA-N.
What is the Canonical SMILES of Methyl 5-acetamido-2-methylbenzoate?
The Canonical SMILES is CC1=C(C=C(C=C1)NC(=O)C)C(=O)OC.
What is the CAS number of Methyl 5-acetamido-2-methylbenzoate?
The CAS number is 91133-72-1.
How many hydrogen bond donor counts does Methyl 5-acetamido-2-methylbenzoate have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of Methyl 5-acetamido-2-methylbenzoate?
The topological polar surface area is 55.4 Ų.
How many rotatable bond counts does Methyl 5-acetamido-2-methylbenzoate have?
It has 3 rotatable bond counts.
Is Methyl 5-acetamido-2-methylbenzoate a canonicalized compound?
Yes, it is a canonicalized compound.
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