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Home > Other Heterocycles > 22287-32-7
22287-32-7 | Bicyclo[1.1.1]pentane-1-methanol
CAS No: 22287-32-7 Catalog No: AG00I4E0 MDL No:MFCD28040494
Product Description
Catalog Number:
AG00I4E0
Chemical Name:
Bicyclo[1.1.1]pentane-1-methanol
CAS Number:
22287-32-7
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD28040494
IUPAC Name:
1-bicyclo[1.1.1]pentanylmethanol
InChI:
InChI=1S/C6H10O/c7-4-6-1-5(2-6)3-6/h5,7H,1-4H2
InChI Key:
PTCSNXOIOPVZMT-UHFFFAOYSA-N
SMILES:
OCC12CC(C1)C2
Properties
Complexity:
81.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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