(2,2-dimethyl-1,3-benzodioxol-4-yl) N-prop-2-ynylcarbamate

CAS: 22791-25-9

Molecular Formula	`C13H13NO4`
Molecular Weight	247.25 g/mol
LogP	1.8
Topological Polar Surface Area	56.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	247.08446
Heavy Atoms	18
Complexity	370.0

Chemical Identifiers

CAS Number	22791-25-9
SMILES	`CC1(OC2=C(O1)C(=CC=C2)OC(=O)NCC#C)C`
InChIKey	`ZMJFTKTUGISURY-UHFFFAOYSA-N`

📖 Product Overview

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-prop-2-ynylcarbamate (CAS: 22791-25-9) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.25 g/mol. Its IUPAC systematic name is (2,2-dimethyl-1,3-benzodioxol-4-yl) N-prop-2-ynylcarbamate. LogP 1.8 Topological Polar Surface Area 56.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 247.08446 Heavy Atoms 18 Complexity 370.0 InChI Key: ZMJFTKTUGISURY-UHFFFAOYSA-N. SMILES: CC1(OC2=C(O1)C(=CC=C2)OC(=O)NCC#C)C.

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