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189760-92-7 | Hexanenitrile, 4-(hydroxymethyl)-, (4R)-
CAS No: 189760-92-7 Catalog No: AG002DXH MDL No:
Product Description
Catalog Number:
AG002DXH
Chemical Name:
Hexanenitrile, 4-(hydroxymethyl)-, (4R)-
CAS Number:
189760-92-7
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
(4R)-4-(hydroxymethyl)hexanenitrile
InChI:
InChI=1S/C7H13NO/c1-2-7(6-9)4-3-5-8/h7,9H,2-4,6H2,1H3/t7-/m1/s1
InChI Key:
IPJKESBTKVNDMR-SSDOTTSWSA-N
SMILES:
CC[C@H](CCC#N)CO
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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