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15344-34-0 | isobutyraldehyde cyanohydrin
CAS No: 15344-34-0 Catalog No: AG00AC7W MDL No:MFCD00798446
Product Description
Catalog Number:
AG00AC7W
Chemical Name:
isobutyraldehyde cyanohydrin
CAS Number:
15344-34-0
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
MDL Number:
MFCD00798446
IUPAC Name:
2-hydroxy-3-methylbutanenitrile
InChI:
InChI=1S/C5H9NO/c1-4(2)5(7)3-6/h4-5,7H,1-2H3
InChI Key:
YRBPUNHOIVAUFA-UHFFFAOYSA-N
SMILES:
OC(C(C)C)C#N
Properties
Complexity:
89.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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