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CHEMCOLLECT KR012280

CAS No.:
933753-01-6
Catalog Number:
AG01E3HA
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
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Product Description
Catalog Number:
AG01E3HA
Chemical Name:
CHEMCOLLECT KR012280
CAS Number:
933753-01-6
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD17251100
IUPAC Name:
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-2-carbaldehyde
InChI:
InChI=1S/C9H11NOS/c11-6-9-10-7-4-2-1-3-5-8(7)12-9/h6H,1-5H2
InChI Key:
CLVZYLOEIINUOV-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(s1)CCCCC2
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties