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1552-97-2 | 2-Propenoic acid, 3-[4-(dimethylamino)phenyl]-, ethyl ester
CAS No: 1552-97-2 Catalog No: AG001NPR MDL No:
Product Description
Catalog Number:
AG001NPR
Chemical Name:
2-Propenoic acid, 3-[4-(dimethylamino)phenyl]-, ethyl ester
CAS Number:
1552-97-2
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
3-[4-(diethylamino)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C13H17NO2/c1-3-14(4-2)12-8-5-11(6-9-12)7-10-13(15)16/h5-10H,3-4H2,1-2H3,(H,15,16)
InChI Key:
DOERLUCWEUSMIF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=Cc1ccc(cc1)N(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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