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104-62-1 | PHENETHYL FORMATE
CAS No: 104-62-1 Catalog No: AG003TO2 MDL No:MFCD00021046
Product Description
Catalog Number:
AG003TO2
Chemical Name:
PHENETHYL FORMATE
CAS Number:
104-62-1
MDL Number:
MFCD00021046
IUPAC Name:
2-phenylethyl formate
InChI:
InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChI Key:
IKDIJXDZEYHZSD-UHFFFAOYSA-N
EC Number:
203-220-7
UNII:
3X97A637DJ
NSC Number:
404456
FEMA Number:
2864
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Fragrance material review on phenethyl formate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901 |
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