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122154-26-1 | 2-Propenoic acid, 3-[4-(dimethylamino)phenyl]-, butyl ester
CAS No: 122154-26-1 Catalog No: AG0016UU MDL No:
Product Description
Catalog Number:
AG0016UU
Chemical Name:
2-Propenoic acid, 3-[4-(dimethylamino)phenyl]-, butyl ester
CAS Number:
122154-26-1
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
butyl 3-[4-(dimethylamino)phenyl]prop-2-enoate
InChI:
InChI=1S/C15H21NO2/c1-4-5-12-18-15(17)11-8-13-6-9-14(10-7-13)16(2)3/h6-11H,4-5,12H2,1-3H3
InChI Key:
LFCTXBPXBXXUHV-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C=Cc1ccc(cc1)N(C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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