Home Other Building Blocks 3-(2,5-Dimethylphenyl)acrylic acid

3-(2,5-Dimethylphenyl)acrylic acid

CAS No.:
95883-10-6
Catalog Number:
AG003FZT
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
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Product Description
Catalog Number:
AG003FZT
Chemical Name:
3-(2,5-Dimethylphenyl)acrylic acid
CAS Number:
95883-10-6
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD00014377
IUPAC Name:
(E)-3-(2,5-dimethylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H12O2/c1-8-3-4-9(2)10(7-8)5-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-5+
InChI Key:
FAIBVLSPNAHVSQ-AATRIKPKSA-N
SMILES:
Cc1ccc(cc1/C=C/C(=O)O)C
Properties
Complexity:
208  
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:
2.6  
Properties