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29526-99-6 | Cyclopropanol, 1-methyl-
CAS No: 29526-99-6 Catalog No: AG002YN8 MDL No:MFCD12962574
Product Description
Catalog Number:
AG002YN8
Chemical Name:
Cyclopropanol, 1-methyl-
CAS Number:
29526-99-6
Molecular Formula:
C4H8O
Molecular Weight:
72.1057
MDL Number:
MFCD12962574
IUPAC Name:
1-methylcyclopropan-1-ol
InChI:
InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3
InChI Key:
NCTCZGRRDXIGIY-UHFFFAOYSA-N
SMILES:
CC1(O)CC1
Properties
Complexity:
45.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
72.058g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
72.107g/mol
Monoisotopic Mass:
72.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Rearrangement pathways of 2-hydroxy-2-methylpropylidene: an experimental and computational study. | The Journal of organic chemistry 20020517 |
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