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22961-83-7 | Carbamic acid, acetylmethyl-, 2-ethyl-2-methyl-1,3-benzodioxol-4-yl ester (9CI)
CAS No: 22961-83-7 Catalog No: AG002LOP MDL No:
Product Description
Catalog Number:
AG002LOP
Chemical Name:
Carbamic acid, acetylmethyl-, 2-ethyl-2-methyl-1,3-benzodioxol-4-yl ester (9CI)
CAS Number:
22961-83-7
Molecular Formula:
C14H17NO5
Molecular Weight:
279.2885
IUPAC Name:
(2-ethyl-2-methyl-1,3-benzodioxol-4-yl) N-acetyl-N-methylcarbamate
InChI:
InChI=1S/C14H17NO5/c1-5-14(3)19-11-8-6-7-10(12(11)20-14)18-13(17)15(4)9(2)16/h6-8H,5H2,1-4H3
InChI Key:
YNGLPKKOWRUTDJ-UHFFFAOYSA-N
SMILES:
CCC1(C)Oc2c(O1)c(ccc2)OC(=O)NCC(=O)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.292g/mol
Monoisotopic Mass:
279.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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