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72360-66-8 | 2-Propanol, 2-methoxy-
CAS No: 72360-66-8 Catalog No: AG005HZN MDL No:
Product Description
Catalog Number:
AG005HZN
Chemical Name:
2-Propanol, 2-methoxy-
CAS Number:
72360-66-8
Molecular Formula:
C4H10O2
Molecular Weight:
90.1210
IUPAC Name:
2-methoxypropan-2-ol
InChI:
InChI=1S/C4H10O2/c1-4(2,5)6-3/h5H,1-3H3
InChI Key:
BFSUQRCCKXZXEX-UHFFFAOYSA-N
SMILES:
COC(O)(C)C
Properties
Complexity:
40.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
90.068g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
90.122g/mol
Monoisotopic Mass:
90.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Final report on the safety assessment of methoxyisopropanol and methoxyisopropyl acetate as used in cosmetics. | International journal of toxicology 20080101 |
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