Home Other Building Blocks 2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylformamido)acetic acid

2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylformamido)acetic acid

CAS No.:
1019127-35-5
Catalog Number:
AG01A9LP
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
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Product Description
Catalog Number:
AG01A9LP
Chemical Name:
2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylformamido)acetic acid
CAS Number:
1019127-35-5
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
MDL Number:
MFCD11130303
IUPAC Name:
2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)acetic acid
InChI:
InChI=1S/C11H13NO3S/c13-10(14)6-12-11(15)9-5-7-3-1-2-4-8(7)16-9/h5H,1-4,6H2,(H,12,15)(H,13,14)
InChI Key:
ZUCWOWQTTVMESP-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1cc2c(s1)CCCC2
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties