Home Other Building Blocks methyl (2E)-3-(pyrimidin-4-yl)prop-2-enoate, E

methyl (2E)-3-(pyrimidin-4-yl)prop-2-enoate, E

CAS No.:
2434-61-9
Catalog Number:
AG01DTBG
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
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Product Description
Catalog Number:
AG01DTBG
Chemical Name:
methyl (2E)-3-(pyrimidin-4-yl)prop-2-enoate, E
CAS Number:
2434-61-9
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD24135019
IUPAC Name:
methyl (E)-3-pyrimidin-4-ylprop-2-enoate
InChI:
InChI=1S/C8H8N2O2/c1-12-8(11)3-2-7-4-5-9-6-10-7/h2-6H,1H3/b3-2+
InChI Key:
DSAVWUYERUBOJM-NSCUHMNNSA-N
SMILES:
COC(=O)/C=C/c1ccncn1
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties