Home Other Building Blocks (5-Formyl-2,4-dimethyl-1h-pyrrol-3-yl)-acetic acid

(5-Formyl-2,4-dimethyl-1h-pyrrol-3-yl)-acetic acid

CAS No.:
52513-48-1
Catalog Number:
AG00DW6J
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$377
- +
1g
97%
1 week
United States
$887
- +
5g
97%
1 week
United States
$2582
- +
Product Description
Catalog Number:
AG00DW6J
Chemical Name:
(5-Formyl-2,4-dimethyl-1h-pyrrol-3-yl)-acetic acid
CAS Number:
52513-48-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD10000699
IUPAC Name:
2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)acetic acid
InChI:
InChI=1S/C9H11NO3/c1-5-7(3-9(12)13)6(2)10-8(5)4-11/h4,10H,3H2,1-2H3,(H,12,13)
InChI Key:
WAFGISWUPUETKX-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c(c(c1C)CC(=O)O)C
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties