Home Other Building Blocks (2E)-2-methyl-3-(thiophen-2-yl)prop-2-enoic acid

(2E)-2-methyl-3-(thiophen-2-yl)prop-2-enoic acid

CAS No.:
102696-69-5
Catalog Number:
AG01EM1L
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
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Product Description
Catalog Number:
AG01EM1L
Chemical Name:
(2E)-2-methyl-3-(thiophen-2-yl)prop-2-enoic acid
CAS Number:
102696-69-5
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
MDL Number:
MFCD00092194
IUPAC Name:
(E)-2-methyl-3-thiophen-2-ylprop-2-enoic acid
InChI:
InChI=1S/C8H8O2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3,(H,9,10)/b6-5+
InChI Key:
MOHSXXGDTJEXNH-AATRIKPKSA-N
SMILES:
OC(=O)/C(=C/c1cccs1)/C
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
168.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.21g/mol
Monoisotopic Mass:
168.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties