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Home > Other Heterocycles > 1370705-39-7
1370705-39-7 | Bicyclo[1.1.1]pentane-1-carbonitrile, 3-(hydroxymethyl)-
CAS No: 1370705-39-7 Catalog No: AG0012SP MDL No:MFCD27664953
Product Description
Catalog Number:
AG0012SP
Chemical Name:
Bicyclo[1.1.1]pentane-1-carbonitrile, 3-(hydroxymethyl)-
CAS Number:
1370705-39-7
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD27664953
IUPAC Name:
3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carbonitrile
InChI:
InChI=1S/C7H9NO/c8-4-6-1-7(2-6,3-6)5-9/h9H,1-3,5H2
InChI Key:
ICMZHMYZIPFSKI-UHFFFAOYSA-N
SMILES:
OCC12CC(C1)(C2)C#N
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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