methyl 2-[2-hydroxy-3-(prop-2-ynylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate

CAS: 53206-81-8

Molecular Formula	`C18H25NO4`
Molecular Weight	319.4 g/mol
LogP	2.3
Topological Polar Surface Area	67.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	319.17834
Heavy Atoms	23
Complexity	414.0

Chemical Identifiers

CAS Number	53206-81-8
SMILES	`CC1=C(C(=C(C=C1)C(C)C)OCC(CNCC#C)O)C(=O)OC`
InChIKey	`XQPZMLWDJXTBRD-UHFFFAOYSA-N`

📖 Product Overview

methyl 2-[2-hydroxy-3-(prop-2-ynylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate (CAS: 53206-81-8) is a chemical compound with molecular formula C18H25NO4 and molecular weight 319.4 g/mol. Its IUPAC systematic name is methyl 2-[2-hydroxy-3-(prop-2-ynylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate. LogP 2.3 Topological Polar Surface Area 67.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 9 Exact Mass 319.17834 Heavy Atoms 23 Complexity 414.0 InChI Key: XQPZMLWDJXTBRD-UHFFFAOYSA-N. SMILES: CC1=C(C(=C(C=C1)C(C)C)OCC(CNCC#C)O)C(=O)OC.

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📚 Academic Support

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