200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 117068-48-1

117068-48-1

117068-48-1 | 2-Propenoic acid, 3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-, methyl ester, (E)- (9CI)

CAS No: 117068-48-1 Catalog No: AG000DNY MDL No:

Product Description

Catalog Number:
AG000DNY
Chemical Name:
2-Propenoic acid, 3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-, methyl ester, (E)- (9CI)
CAS Number:
117068-48-1
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
IUPAC Name:
methyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate
InChI:
InChI=1S/C9H10N2O4/c1-6-5-11(4-3-7(12)15-2)9(14)10-8(6)13/h3-5H,1-2H3,(H,10,13,14)
InChI Key:
XUPFDRQMAIGDAI-UHFFFAOYSA-N
SMILES:
Cc1cn(/C=C/C(=O)OC)c(=O)[nH]c1=O

Properties

Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
-0.4  

Related Products

© 2019 Angene International Limited. All rights Reserved.