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Home Other Building Blocks 2-Propenoic acid, 3-[4-(acetyloxy)-3-methoxyphenyl]-

2-Propenoic acid, 3-[4-(acetyloxy)-3-methoxyphenyl]-

CAS No.:
2596-47-6
Catalog Number:
AG002R7G
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$57
- +
5g
98%(HPLC)
In Stock USA
United States
$150
- +
25g
98%(HPLC)
In Stock USA
United States
$465
- +
100g
98%(HPLC)
In Stock USA
United States
$1669
- +
Product Description
Catalog Number:
AG002R7G
Chemical Name:
2-Propenoic acid, 3-[4-(acetyloxy)-3-methoxyphenyl]-
CAS Number:
2596-47-6
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
MDL Number:
MFCD00014378
IUPAC Name:
(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C12H12O5/c1-8(13)17-10-5-3-9(4-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3,(H,14,15)/b6-4+
InChI Key:
IHKNVZISLLDMOR-GQCTYLIASA-N
SMILES:
COc1cc(C=CC(=O)O)ccc1OC(=O)C
NSC Number:
16957
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties