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Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

Catalog Number
ACMA00002156
Category
Ethers
Molecular Weight
207.23
Molecular Formula
C11H13NO

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Specification

Hazard Statements
H302
RIDADR
UN 2811 6.1 / PGIII
Symbol
GHS07
What is the molecular formula of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?

The molecular formula is C11H13NO3.

What is the molecular weight of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?

The molecular weight is 207.23 g/mol.

What is the IUPAC name of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?

The IUPAC name is ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate.

What is the InChI of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?

The InChI is InChI=1S/C11H13NO3/c1-2-14-11(13)10-7-12-8-5-3-4-6-9(8)15-10/h3-6,10,12H,2,7H2,1H3.

What is the InChIKey of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?

The InChIKey is FGYXHLIMQKWPIL-UHFFFAOYSA-N.

What is the canonical SMILES of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?

The canonical SMILES is CCOC(=O)C1CNC2=CC=CC=C2O1.

What is the CAS number of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?

The CAS number is 22244-22-0.

What is the ChEMBL ID of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?

The ChEMBL ID is CHEMBL4868317.

How many hydrogen bond donor counts does Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate have?

It has 4 hydrogen bond acceptor counts.

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