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915921-00-5

915921-00-5 | 3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLTHIO)PROPANOIC ACID

CAS No: 915921-00-5 Catalog No: AG006GL7 MDL No:MFCD08691814

Product Description

Catalog Number:
AG006GL7
Chemical Name:
3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLTHIO)PROPANOIC ACID
CAS Number:
915921-00-5
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
MDL Number:
MFCD08691814
IUPAC Name:
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoic acid
InChI:
InChI=1S/C11H12O4S/c12-11(13)3-6-16-8-1-2-9-10(7-8)15-5-4-14-9/h1-2,7H,3-6H2,(H,12,13)
InChI Key:
LMJJCUHBJIXUHM-UHFFFAOYSA-N
SMILES:
OC(=O)CCSc1ccc2c(c1)OCCO2

Properties

Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.273g/mol
Monoisotopic Mass:
240.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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