CAS
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3-Formylphenyl 3,4-dimethylbenzoate
Catalog Number
ACMA00002982
Category
Ethers
Molecular Weight
254.28
Molecular Formula
C16H13NO5
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Specification
Hazard Statements
H317
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 3-formylphenyl 3,4-dimethylbenzoate?
The molecular formula is C16H14O3.
What is the molecular weight of 3-formylphenyl 3,4-dimethylbenzoate?
The molecular weight is 254.28 g/mol.
What is the IUPAC name of 3-formylphenyl 3,4-dimethylbenzoate?
The IUPAC name is (3-formylphenyl) 3,4-dimethylbenzoate.
What is the InChI of 3-formylphenyl 3,4-dimethylbenzoate?
The InChI is InChI=1S/C16H14O3/c1-11-6-7-14(8-12(11)2)16(18)19-15-5-3-4-13(9-15)10-17/h3-10H,1-2H3.
What is the InChIKey of 3-formylphenyl 3,4-dimethylbenzoate?
The InChIKey is MVIHXQIDHKFULM-UHFFFAOYSA-N.
What is the canonical SMILES of 3-formylphenyl 3,4-dimethylbenzoate?
The canonical SMILES is CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C=O).
What is the XLogP3-AA value of 3-formylphenyl 3,4-dimethylbenzoate?
The XLogP3-AA value is 3.5.
How many hydrogen bond donor counts does 3-formylphenyl 3,4-dimethylbenzoate have?
It has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 3-formylphenyl 3,4-dimethylbenzoate have?
It has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does 3-formylphenyl 3,4-dimethylbenzoate have?
It has 4 rotatable bond counts.
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