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Home Carboxys 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylic acid

4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylic acid

CAS No.:
52034-38-5
Catalog Number:
AG00D8ME
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$150
- +
1g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00D8ME
Chemical Name:
4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylic acid
CAS Number:
52034-38-5
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
MDL Number:
MFCD00022463
IUPAC Name:
4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoic acid
InChI:
InChI=1S/C14H13NO3/c1-9-7-12(8-16)10(2)15(9)13-5-3-11(4-6-13)14(17)18/h3-8H,1-2H3,(H,17,18)
InChI Key:
GPYVXQQXXCPCGK-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1ccc(cc1)C(=O)O)C
NSC Number:
242028
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties