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125769-41-7 | 2-Propenoic acid, 3-[4-(diethylamino)-2-hydroxyphenyl]-2-methyl-
CAS No: 125769-41-7 Catalog No: AG000OP4 MDL No:
Product Description
Catalog Number:
AG000OP4
Chemical Name:
2-Propenoic acid, 3-[4-(diethylamino)-2-hydroxyphenyl]-2-methyl-
CAS Number:
125769-41-7
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
3-[4-(diethylamino)-2-hydroxyphenyl]-2-methylprop-2-enoic acid
InChI:
InChI=1S/C14H19NO3/c1-4-15(5-2)12-7-6-11(13(16)9-12)8-10(3)14(17)18/h6-9,16H,4-5H2,1-3H3,(H,17,18)
InChI Key:
JAEWDFYDSACHDN-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)O)C=C(C(=O)O)C)CC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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