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Home > Thiazole > 2060020-86-0
2060020-86-0 | 4-(1,3-dioxolan-2-yl)-1,3-thiazole-2-carbonitrile
CAS No: 2060020-86-0 Catalog No: AG01BWZF MDL No:MFCD30477538
Product Description
Catalog Number:
AG01BWZF
Chemical Name:
4-(1,3-dioxolan-2-yl)-1,3-thiazole-2-carbonitrile
CAS Number:
2060020-86-0
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD30477538
IUPAC Name:
4-(1,3-dioxolan-2-yl)-1,3-thiazole-2-carbonitrile
InChI:
InChI=1S/C7H6N2O2S/c8-3-6-9-5(4-12-6)7-10-1-2-11-7/h4,7H,1-2H2
InChI Key:
XMEMPWFFUABLQM-UHFFFAOYSA-N
SMILES:
N#Cc1scc(n1)C1OCCO1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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