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84196-09-8 | 2-Butenoic acid,4-(diethylamino)-2-methyl-
CAS No: 84196-09-8 Catalog No: AG004P3M MDL No:
Product Description
Catalog Number:
AG004P3M
Chemical Name:
2-Butenoic acid,4-(diethylamino)-2-methyl-
CAS Number:
84196-09-8
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
(E)-4-(diethylamino)-2-methylbut-2-enoic acid
InChI:
InChI=1S/C9H17NO2/c1-4-10(5-2)7-6-8(3)9(11)12/h6H,4-5,7H2,1-3H3,(H,11,12)/b8-6+
InChI Key:
RKCYYKCHYZJRKP-SOFGYWHQSA-N
SMILES:
CCN(CC=C(C(=O)O)C)CC
EC Number:
282-418-5
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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