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90906-75-5

90906-75-5 | 3-Butenoic acid, 4-[2-chloro-4-(dimethylamino)phenyl]-2-oxo-

CAS No: 90906-75-5 Catalog No: AG006GOH MDL No:

Product Description

Catalog Number:
AG006GOH
Chemical Name:
3-Butenoic acid, 4-[2-chloro-4-(dimethylamino)phenyl]-2-oxo-
CAS Number:
90906-75-5
Molecular Formula:
C12H12ClNO3
Molecular Weight:
253.6816
IUPAC Name:
4-[2-chloro-4-(dimethylamino)phenyl]-2-oxobut-3-enoic acid
InChI:
InChI=1S/C12H12ClNO3/c1-14(2)9-5-3-8(10(13)7-9)4-6-11(15)12(16)17/h3-7H,1-2H3,(H,16,17)
InChI Key:
NRYWHEVMJPEZOH-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)C=Cc1ccc(cc1Cl)N(C)C

Properties

Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.682g/mol
Monoisotopic Mass:
253.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.5  

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