Home Other Building Blocks 3-[(furan-2-ylmethyl)sulfanyl]prop-2-enoic acid

3-[(furan-2-ylmethyl)sulfanyl]prop-2-enoic acid

CAS No.:
1384433-83-3
Catalog Number:
AG019YYS
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
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Product Description
Catalog Number:
AG019YYS
Chemical Name:
3-[(furan-2-ylmethyl)sulfanyl]prop-2-enoic acid
CAS Number:
1384433-83-3
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
MDL Number:
MFCD22196585
IUPAC Name:
3-(furan-2-ylmethylsulfanyl)prop-2-enoic acid
InChI:
InChI=1S/C8H8O3S/c9-8(10)3-5-12-6-7-2-1-4-11-7/h1-5H,6H2,(H,9,10)
InChI Key:
GTNXNVOMXUGSQS-UHFFFAOYSA-N
SMILES:
OC(=O)C=CSCc1ccco1
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.209g/mol
Monoisotopic Mass:
184.019g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.1  
Properties