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13988-24-4 | Urea, N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-N',N'-di-2-propen-1-yl-
CAS No: 13988-24-4 Catalog No: AG001BRG MDL No:
Product Description
Catalog Number:
AG001BRG
Chemical Name:
Urea, N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-N',N'-di-2-propen-1-yl-
CAS Number:
13988-24-4
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-3,3-bis(prop-2-enyl)urea
InChI:
InChI=1S/C17H22N2O3/c1-4-10-19(11-5-2)17(20)18(3)12-14-13-21-15-8-6-7-9-16(15)22-14/h4-9,14H,1-2,10-13H2,3H3
InChI Key:
SVQHPQRSZJSPEB-UHFFFAOYSA-N
SMILES:
C=CCN(C(=O)N(CC1COc2c(O1)cccc2)C)CC=C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.374g/mol
Monoisotopic Mass:
302.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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