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16409-29-3 | Cyclopropanecarboxamide, N,2,2-trimethyl-3-(2-methyl-1-propen-1-yl)-N-(6-propyl-1,3-benzodioxol-5-yl)-
CAS No: 16409-29-3 Catalog No: AG001UN5 MDL No:
Product Description
Catalog Number:
AG001UN5
Chemical Name:
Cyclopropanecarboxamide, N,2,2-trimethyl-3-(2-methyl-1-propen-1-yl)-N-(6-propyl-1,3-benzodioxol-5-yl)-
CAS Number:
16409-29-3
Molecular Formula:
C21H29NO3
Molecular Weight:
343.4599
IUPAC Name:
1-[4-(2-hydroxypropoxy)but-2-ynoxy]propan-2-ol
InChI:
InChI=1S/C10H18O4/c1-9(11)7-13-5-3-4-6-14-8-10(2)12/h9-12H,5-8H2,1-2H3
InChI Key:
JBTLOLAWFPERSC-UHFFFAOYSA-N
SMILES:
CCCc1cc2OCOc2cc1N(C(=O)C1C(C1(C)C)C=C(C)C)C
EC Number:
216-527-6
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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