Home Other Building Blocks 3-(2-methylphenyl)but-2-enoic acid

3-(2-methylphenyl)but-2-enoic acid

CAS No.:
100994-10-3
Catalog Number:
AG01EM3N
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
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Product Description
Catalog Number:
AG01EM3N
Chemical Name:
3-(2-methylphenyl)but-2-enoic acid
CAS Number:
100994-10-3
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD00796470
IUPAC Name:
(E)-3-(2-methylphenyl)but-2-enoic acid
InChI:
InChI=1S/C11H12O2/c1-8-5-3-4-6-10(8)9(2)7-11(12)13/h3-7H,1-2H3,(H,12,13)/b9-7+
InChI Key:
UQMZDSZTHBWRGZ-VQHVLOKHSA-N
SMILES:
OC(=O)C=C(c1ccccc1C)C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties