Home Other Building Blocks 2-Pentenoic acid, 3-methyl-, (E)-

2-Pentenoic acid, 3-methyl-, (E)-

CAS No.:
19866-50-3
Catalog Number:
AG002BOU
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
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Product Description
Catalog Number:
AG002BOU
Chemical Name:
2-Pentenoic acid, 3-methyl-, (E)-
CAS Number:
19866-50-3
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD09878833
IUPAC Name:
(E)-3-methylpent-2-enoic acid
InChI:
InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
InChI Key:
RSFQOQOSOMBPEJ-SNAWJCMRSA-N
SMILES:
C/C(=C\C(=O)O)/CC
Properties
Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties