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131724-43-1 | 1,3-Dioxolane-4-acetonitrile, 2,2-dimethyl-, (S)- (9CI)
CAS No: 131724-43-1 Catalog No: AG000ZMQ MDL No:MFCD02262089
Product Description
Catalog Number:
AG000ZMQ
Chemical Name:
1,3-Dioxolane-4-acetonitrile, 2,2-dimethyl-, (S)- (9CI)
CAS Number:
131724-43-1
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD02262089
IUPAC Name:
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetonitrile
InChI:
InChI=1S/C7H11NO2/c1-7(2)9-5-6(10-7)3-4-8/h6H,3,5H2,1-2H3/t6-/m0/s1
InChI Key:
UJLINZVKIKLEHQ-LURJTMIESA-N
SMILES:
N#CC[C@H]1COC(O1)(C)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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