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Home Other Building Blocks Methyl 2-formylbenzoate

Methyl 2-formylbenzoate

CAS No.:
4122-56-9
Catalog Number:
AG0039MN
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$125
- +
100g
98%
In Stock USA
United States
$425
- +
Product Description
Catalog Number:
AG0039MN
Chemical Name:
Methyl 2-formylbenzoate
CAS Number:
4122-56-9
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00204231
IUPAC Name:
methyl 2-formylbenzoate
InChI:
InChI=1S/C9H8O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-6H,1H3
InChI Key:
YRMODRRGEUGHTF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C=O
NSC Number:
52152
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
One-pot synthesis of quinoline-based tetracycles by a tandem three-component reaction. Journal of combinatorial chemistry 20070101
Cobalt-catalyzed one-pot three-component coupling route to beta-acetamido carbonyl compounds: a general synthetic protocol for gamma-lactams. The Journal of organic chemistry 20030516
Properties