3-Acetoxy-4-methoxybenzaldehyde - CAS 881-57-2

Catalog:	BB038755
Product Name:	3-Acetoxy-4-methoxybenzaldehyde
CAS:	881-57-2
Synonyms:	acetic acid (5-formyl-2-methoxyphenyl) ester; (5-formyl-2-methoxyphenyl) acetate

Technical Data

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Computed Properties

IUPAC Name:	(5-formyl-2-methoxyphenyl) acetate
Description:	3-Acetoxy-4-methoxybenzaldehyde (CAS# 881-57-2) is a compound useful in organic synthesis.
Molecular Weight:	194.18
Molecular Formula:	C10H10O4
Canonical SMILES:	CC(=O)OC1=C(C=CC(=C1)C=O)OC
InChI:	InChI=1S/C10H10O4/c1-7(12)14-10-5-8(6-11)3-4-9(10)13-2/h3-6H,1-2H3
InChI Key:	ZVPGTXJXZIXWGR-UHFFFAOYSA-N
Boiling Point:	293 °C at 760 mmHg
Density:	1.193 g/cm³
LogP:	1.43300

Publication Number	Title	Priority Date
CN-108610292-B	3, 5-disubstituted hydantoin compounds and preparation method and application thereof	20180612
AU-2018314471-A1	4-OXO-Alkylated tetramic acid compound, preparation method therefor and use thereof	20170811
AU-2018314472-A1	4-oxo-alkylated tetramic acid compound and preparation method therefor	20170811
CN-107468690-B	4-oxygen-alkylated tetramic acid compound and preparation method and application thereof	20170811
EP-3643311-A1	4-oxo-alkylated tetramic acid compound, preparation method therefor and use thereof	20170811

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[70199-62-1]
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[55441-25-3]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.05790880
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.05790880
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8