CAS
94248-26-7 Purity
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94248-26-7 Purity
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Methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate
CAS
94248-34-7
Catalog Number
ACM94248347
Category
Other Products
Molecular Weight
285.380720 [g/mol]
Molecular Formula
C18H23NO2
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Specification
Synonyms
94248-34-7, AC1MIFVB, CTK5H6086, methyl 2-[(1,2,2-trimethylcyclohex-3-en-1-yl)methylideneamino]benzoate
IUPAC Name
methyl 2-[(1,2,2-trimethylcyclohex-3-en-1-yl)methylideneamino]benzoate
SMILES
CC1(C=CCCC1(C)C=NC2=CC=CC=C2C(=O)OC)C
InChI Key
ZEIURLXALIRALL-UHFFFAOYSA-N
EC Number
304-306-8
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The molecular formula is C18H23NO2.
When was the PubChem CID 3024139 created and last modified?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The IUPAC name is methyl 2-[(1,2,2-trimethylcyclohex-3-en-1-yl)methylideneamino]benzoate.
What is the InChIKey of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The InChIKey is ZEIURLXALIRALL-UHFFFAOYSA-N.
What is the Canonical SMILES representation of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The Canonical SMILES representation is CC1(C=CCCC1(C)C=NC2=CC=CC=C2C(=O)OC).
What is the CAS Number of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The CAS Number is 94248-34-7.
What is the molecular weight of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The molecular weight is 285.4 g/mol.
How many hydrogen bond acceptors does methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate have?
It has 3 hydrogen bond acceptors.
What is the topological polar surface area of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The topological polar surface area is 38.7 Ų.
Is methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate a canonicalized compound?
Yes, it is canonicalized.
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