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4-Acetoxybenzaldehyde

Catalog Number
ACM878002
CAS Number
878-00-2
Product Name
4-Acetoxybenzaldehyde
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
Synonyms
P-ACETOXYBENZALDEHYDE;P-FORMYLPHENYL ACETATE;TIMTEC-BB SBB008231;ACETIC ACID 4-FORMYLPHENYL ESTER;4-ACETOXYBENZALDEHYDE;4-FORMYLPHENYL ACETATE;ASINEX-REAG BAS 04292673;4-(acetyloxy)-benzaldehyd
IUPAC Name
(4-formylphenyl) acetate
Molecular Weight
164.16g/mol
Molecular Formula
C9H8O3
Canonical SMILES
CC(=O)OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C9H8O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-6H,1H3
InChI Key
SEVSMVUOKAMPDO-UHFFFAOYSA-N
Boiling Point
152-153°C17mm Hg(lit.)
Flash Point
>230°F
Density
1.168g/mL at 25°C(lit.)
Complexity
169
Covalently-Bonded Unit Count
1
EC Number
212-898-3
Exact Mass
164.047344g/mol
Formal Charge
0
Hazard Statements
Xi
Heavy Atom Count
12
Monoisotopic Mass
164.047344g/mol
NSC Number
40537
Rotatable Bond Count
3
Safety Description
26-37/39
Supplemental Hazard Statements
H315-H319-H335
XLogP3
0.6
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