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10156-35-1 | Thiocyanic acid, 2-oxo-2-(phenylamino)ethyl ester
CAS No: 10156-35-1 Catalog No: AG0004SS MDL No:
Product Description
Catalog Number:
AG0004SS
Chemical Name:
Thiocyanic acid, 2-oxo-2-(phenylamino)ethyl ester
CAS Number:
10156-35-1
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
IUPAC Name:
(2-anilino-2-oxoethyl) thiocyanate
InChI:
InChI=1S/C9H8N2OS/c10-7-13-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6H2,(H,11,12)
InChI Key:
MQAQDCGJZXXNIA-UHFFFAOYSA-N
SMILES:
N#CSCC(=O)Nc1ccccc1
NSC Number:
60741
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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