Home Carboxys Biphenyl 3-carboxylic acid methyl ester

Biphenyl 3-carboxylic acid methyl ester

CAS No.:
16606-00-1
Catalog Number:
AG00HZ54
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$437
- +
5g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00HZ54
Chemical Name:
Biphenyl 3-carboxylic acid methyl ester
CAS Number:
16606-00-1
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
MDL Number:
MFCD01464091
IUPAC Name:
methyl 3-phenylbenzoate
InChI:
InChI=1S/C14H12O2/c1-16-14(15)13-9-5-8-12(10-13)11-6-3-2-4-7-11/h2-10H,1H3
InChI Key:
BYSRVCQMGFTUBK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1ccccc1
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Preparation and photochemical rearrangements of 2-phenyl-2,5-cyclohexadien-1-ones. an efficient route to highly substituted phenols. Organic letters 20010419
Properties