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133149-51-6 | 2-Propenethioamide, 2-cyano-3-(4-hydroxyphenyl)-
CAS No: 133149-51-6 Catalog No: AG0014BX MDL No:
Product Description
Catalog Number:
AG0014BX
Chemical Name:
2-Propenethioamide, 2-cyano-3-(4-hydroxyphenyl)-
CAS Number:
133149-51-6
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
IUPAC Name:
2-cyano-3-(4-hydroxyphenyl)prop-2-enethioamide
InChI:
InChI=1S/C10H8N2OS/c11-6-8(10(12)14)5-7-1-3-9(13)4-2-7/h1-5,13H,(H2,12,14)
InChI Key:
IUXXGYNXYSCATI-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)O)C(=S)N
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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