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114715-53-6 | 3-Thiophenecarboxylic acid, 3-aminotetrahydro-, (S)- (9CI)
CAS No: 114715-53-6 Catalog No: AG000F3Q MDL No:MFCD08461714
Product Description
Catalog Number:
AG000F3Q
Chemical Name:
3-Thiophenecarboxylic acid, 3-aminotetrahydro-, (S)- (9CI)
CAS Number:
114715-53-6
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
MDL Number:
MFCD08461714
IUPAC Name:
3-aminothiolane-3-carboxylic acid
InChI:
InChI=1S/C5H9NO2S/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)
InChI Key:
SAKWWHXZZFRWCN-UHFFFAOYSA-N
SMILES:
OC(=O)[C@]1(N)CSCC1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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