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Home > Other Heterocycles > 1379662-52-8
1379662-52-8 | bicyclo[6.1.0]non-4-yn-9-ylmethanol
CAS No: 1379662-52-8 Catalog No: AG01BDQF MDL No:MFCD22549359
Product Description
Catalog Number:
AG01BDQF
Chemical Name:
bicyclo[6.1.0]non-4-yn-9-ylmethanol
CAS Number:
1379662-52-8
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD22549359
IUPAC Name:
9-bicyclo[6.1.0]non-4-ynylmethanol
InChI:
InChI=1S/C10H14O/c11-7-10-8-5-3-1-2-4-6-9(8)10/h8-11H,3-7H2
InChI Key:
NSVXZMGWYBICRW-UHFFFAOYSA-N
SMILES:
OCC1C2C1CCC#CCC2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Genetic Encoding of bicyclononynes and trans-cyclooctenes for site-specific protein labeling in vitro and in live mammalian cells via rapid fluorogenic Diels-Alder reactions. | Journal of the American Chemical Society 20120627 |
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