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Home Other Building Blocks Alpha-methylcinnamic acid

Alpha-methylcinnamic acid

CAS No.:
1199-77-5
Catalog Number:
AG000PUK
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$50
- +
500g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG000PUK
Chemical Name:
Alpha-methylcinnamic acid
CAS Number:
1199-77-5
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00002652
IUPAC Name:
(E)-2-methyl-3-phenylprop-2-enoic acid
InChI:
InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
InChI Key:
XNCRUNXWPDJHGV-BQYQJAHWSA-N
SMILES:
CC(=Cc1ccccc1)C(=O)O
EC Number:
214-847-0
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Gene expression profiling for analysis acquired oxaliplatin resistant factors in human gastric carcinoma TSGH-S3 cells: the role of IL-6 signaling and Nrf2/AKR1C axis identification. Biochemical pharmacology 20131001
Reduction of doxorubicin and oracin and induction of carbonyl reductase in human breast carcinoma MCF-7 cells. Chemico-biological interactions 20081022
Cinnamic acids as new inhibitors of 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3). Molecular and cellular endocrinology 20060327
Achiral ligands dramatically enhance rate and enantioselectivity in the Rh/phosphoramidite-catalyzed hydrogenation of alpha,beta-disubstituted unsaturated acids. Angewandte Chemie (International ed. in English) 20050704
Properties