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Imr-1a

CAS No.:
331862-41-0
Catalog Number:
AG00C6LB
Molecular Formula:
C13H11NO5S2
Molecular Weight:
325.3601
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$2557
- +
100mg
98%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00C6LB
Chemical Name:
Imr-1a
CAS Number:
331862-41-0
Molecular Formula:
C13H11NO5S2
Molecular Weight:
325.3601
MDL Number:
MFCD04083080
IUPAC Name:
2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
InChI:
InChI=1S/C13H11NO5S2/c1-18-9-4-7(2-3-8(9)19-6-11(15)16)5-10-12(17)14-13(20)21-10/h2-5H,6H2,1H3,(H,15,16)(H,14,17,20)/b10-5+
InChI Key:
DVBJNSKWHSGTDK-BJMVGYQFSA-N
SMILES:
COc1cc(ccc1OCC(=O)O)/C=C\1/SC(=S)NC1=O
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
325.008g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
325.353g/mol
Monoisotopic Mass:
325.008g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties