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1134603-63-6 | 2H-Thiopyran-4-acetic acid, α-aminotetrahydro-, methyl ester
CAS No: 1134603-63-6 Catalog No: AG0008NV MDL No:MFCD04115502
Product Description
Catalog Number:
AG0008NV
Chemical Name:
2H-Thiopyran-4-acetic acid, α-aminotetrahydro-, methyl ester
CAS Number:
1134603-63-6
Molecular Formula:
C8H15NO2S
Molecular Weight:
189.2752
MDL Number:
MFCD04115502
IUPAC Name:
methyl 2-amino-2-(thian-4-yl)acetate
InChI:
InChI=1S/C8H15NO2S/c1-11-8(10)7(9)6-2-4-12-5-3-6/h6-7H,2-5,9H2,1H3
InChI Key:
CAQGEFRXSFRKJL-UHFFFAOYSA-N
SMILES:
COC(=O)C(C1CCSCC1)N
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.082g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.273g/mol
Monoisotopic Mass:
189.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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