Home Carboxys methyl 3-(hydroxymethyl)thiophene-2-carboxylate

methyl 3-(hydroxymethyl)thiophene-2-carboxylate

CAS No.:
452979-16-7
Catalog Number:
AG01DWFY
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
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Product Description
Catalog Number:
AG01DWFY
Chemical Name:
methyl 3-(hydroxymethyl)thiophene-2-carboxylate
CAS Number:
452979-16-7
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
MDL Number:
MFCD28362174
IUPAC Name:
methyl 3-(hydroxymethyl)thiophene-2-carboxylate
InChI:
InChI=1S/C7H8O3S/c1-10-7(9)6-5(4-8)2-3-11-6/h2-3,8H,4H2,1H3
InChI Key:
NFEVEDLQVJSKCA-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1CO
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.198g/mol
Monoisotopic Mass:
172.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties