200,000+ products from a single source!
sales@angenechem.com
87906-27-2 | 2-Butenoic acid, 4-(methylamino)-4-oxo-, 2-propynyl ester, (E)-
CAS No: 87906-27-2 Catalog No: AG004FFD MDL No:
Product Description
Catalog Number:
AG004FFD
Chemical Name:
2-Butenoic acid, 4-(methylamino)-4-oxo-, 2-propynyl ester, (E)-
CAS Number:
87906-27-2
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
prop-2-ynyl 4-(methylamino)-4-oxobut-2-enoate
InChI:
InChI=1S/C8H9NO3/c1-3-6-12-8(11)5-4-7(10)9-2/h1,4-5H,6H2,2H3,(H,9,10)
InChI Key:
ZDBAIGDJEZFYED-UHFFFAOYSA-N
SMILES:
CNC(=O)/C=C/C(=O)OCC#C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.