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146255-60-9 | 3-Heptenenitrile, 2-hydroxy-, (2R,3E)-
CAS No: 146255-60-9 Catalog No: AG001DTI MDL No:
Product Description
Catalog Number:
AG001DTI
Chemical Name:
3-Heptenenitrile, 2-hydroxy-, (2R,3E)-
CAS Number:
146255-60-9
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
IUPAC Name:
2-hydroxyhept-3-enenitrile
InChI:
InChI=1S/C7H11NO/c1-2-3-4-5-7(9)6-8/h4-5,7,9H,2-3H2,1H3
InChI Key:
SWBORZICEYIYCG-UHFFFAOYSA-N
SMILES:
CCC/C=C/[C@H](C#N)O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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