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115473-15-9 | Thieno[3,2-c]pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-, hydrochloride (1:1)
CAS No: 115473-15-9 Catalog No: AG000G0Z MDL No:MFCD11111130
Product Description
Catalog Number:
AG000G0Z
Chemical Name:
Thieno[3,2-c]pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-, hydrochloride (1:1)
CAS Number:
115473-15-9
Molecular Formula:
C7H10ClNOS
Molecular Weight:
191.6784
MDL Number:
MFCD11111130
IUPAC Name:
5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one;hydrochloride
InChI:
InChI=1S/C7H9NOS.ClH/c9-7-3-5-4-8-2-1-6(5)10-7;/h3,6,8H,1-2,4H2;1H
InChI Key:
PUQKTVAKLPDUAW-UHFFFAOYSA-N
SMILES:
O=C1C=C2C(S1)CCNC2.Cl
EC Number:
601-365-4
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.673g/mol
Monoisotopic Mass:
191.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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