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885949-97-3 | (2E)-3-(dimethylamino)-1-(thiophen-3-yl)but-2-en-1-one
CAS No: 885949-97-3 Catalog No: AG00IQSX MDL No:MFCD06659591
Product Description
Catalog Number:
AG00IQSX
Chemical Name:
(2E)-3-(dimethylamino)-1-(thiophen-3-yl)but-2-en-1-one
CAS Number:
885949-97-3
Molecular Formula:
C10H13NOS
Molecular Weight:
195.2813
MDL Number:
MFCD06659591
IUPAC Name:
3-(dimethylamino)-1-thiophen-3-ylbut-2-en-1-one
InChI:
InChI=1S/C10H13NOS/c1-8(11(2)3)6-10(12)9-4-5-13-7-9/h4-7H,1-3H3
InChI Key:
NTUFEJJCKPNJNP-UHFFFAOYSA-N
SMILES:
C/C(=C\C(=O)c1cscc1)/N(C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.28g/mol
Monoisotopic Mass:
195.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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