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146255-62-1 | 3-Pentenenitrile, 2-hydroxy-3-methyl-, (E)- (9CI)
CAS No: 146255-62-1 Catalog No: AG001DTG MDL No:
Product Description
Catalog Number:
AG001DTG
Chemical Name:
3-Pentenenitrile, 2-hydroxy-3-methyl-, (E)- (9CI)
CAS Number:
146255-62-1
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
IUPAC Name:
2-hydroxy-3-methylpent-3-enenitrile
InChI:
InChI=1S/C6H9NO/c1-3-5(2)6(8)4-7/h3,6,8H,1-2H3
InChI Key:
NSFFWOOKXGTJRP-UHFFFAOYSA-N
SMILES:
C/C(=C\C)/C(C#N)O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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