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10058-43-2 | Benzeneethanol, α,α-dimethyl-, 1-formate
CAS No: 10058-43-2 Catalog No: AG0002E4 MDL No:
Product Description
Catalog Number:
AG0002E4
Chemical Name:
Benzeneethanol, α,α-dimethyl-, 1-formate
CAS Number:
10058-43-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
(2-methyl-1-phenylpropan-2-yl) formate
InChI:
InChI=1S/C11H14O2/c1-11(2,13-9-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key:
CFSCYYFRHIBXMS-UHFFFAOYSA-N
SMILES:
O=COC(Cc1ccccc1)(C)C
EC Number:
600-112-5
UNII:
48E8S6VRQ8
FEMA Number:
2395
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Fragrance material review on 1,1-dimethyl-2-phenylethyl formate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901 |
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