200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 71339-40-7

71339-40-7

71339-40-7 | 2-Pentenoicacid, 3-methyl-4-oxo-, (E)- (9CI)

CAS No: 71339-40-7 Catalog No: AG005JPY MDL No:

Product Description

Catalog Number:
AG005JPY
Chemical Name:
2-Pentenoicacid, 3-methyl-4-oxo-, (E)- (9CI)
CAS Number:
71339-40-7
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
IUPAC Name:
(E)-3-methyl-4-oxopent-2-enoic acid
InChI:
InChI=1S/C6H8O3/c1-4(5(2)7)3-6(8)9/h3H,1-2H3,(H,8,9)/b4-3+
InChI Key:
LRRPKULXSOVRRZ-ONEGZZNKSA-N
SMILES:
OC(=O)/C=C(/C(=O)C)\C
NSC Number:
159112

Properties

Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

© 2019 Angene International Limited. All rights Reserved.