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203505-82-2

203505-82-2 | 2-Propenoic acid, 3-[2-(dimethylamino)-5-pyrimidinyl]-, (2E)-

CAS No: 203505-82-2 Catalog No: AG0028X8 MDL No:MFCD08059847

Product Description

Catalog Number:
AG0028X8
Chemical Name:
2-Propenoic acid, 3-[2-(dimethylamino)-5-pyrimidinyl]-, (2E)-
CAS Number:
203505-82-2
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
MDL Number:
MFCD08059847
IUPAC Name:
(E)-3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enoic acid
InChI:
InChI=1S/C9H11N3O2/c1-12(2)9-10-5-7(6-11-9)3-4-8(13)14/h3-6H,1-2H3,(H,13,14)/b4-3+
InChI Key:
VZFHNNOWTJQTQD-ONEGZZNKSA-N
SMILES:
CN(c1ncc(cn1)/C=C/C(=O)O)C

Properties

Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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