3-Acetoxy-o-toluic acid CAS NO.168899-58-9

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Keywords

3-Acetoxy-o-toluic acid

Quick Details

ProName: 3-Acetoxy-o-toluic acid
CasNo: 168899-58-9
Molecular Formula: C10H10O4
Appearance: White crystal
DeliveryTime: in 1-2 days after payment
PackAge: 25kg/drum
Port: shanghai
ProductionCapacity: Metric Ton/Day
Purity: ≥98.5%
Storage: sealed storage in shady and cool wareh...
Transportation: by air or by sea
LimitNum: 0 Metric Ton

Superiority

1. Introduction of3-Acetoxy-o-toluic acid

The 3-Acetoxy-o-toluic acid, with its CAS NO168899-58-9, is a kind ofWhite to pale brown solid. I

Details

1. Introduction of 3-Acetoxy-o-toluic acid

The 3-Acetoxy-o-toluic acid, with its CAS NO 168899-58-9, is a kind of White to pale brown solid. It has synonyms of 3-Acetoxy-2-methylbenzoicacid 2-Methyl-3-acetoxybenzoic acid. 3-Acetoxy-o-toluic acid should be stored in shady cool warehouse.

2. Properties of 3-Acetoxy-o-toluic acid

(1) XLogP3-AA 1.6 (2) H-Bond Don1 (3) H-Bond Accept4
(4) Rotatable Bond Count 3 (5) Exact Mass 194.057909 (6) MonoIsotopic Mass 194.057909
(7) Topological Polar Surface Area 63.6 (8) Heavy Atom Count 14 (9) Complexity 236
(10) Covalently-Bonded Unit Count 1 (11) Feature 3D AcceptCount 3
(12) Feature 3D Anion Count 1 (13) Feature 3D Ring Count 1 (14) Effective RotCount 3
(15) Conformer Sampling RMSD 0.6 (16) CID Conformer Count 16

3. Structure descriptors of 3-Acetoxy-o-toluic acid

IUPAC Name: 3-acetyloxy-2-methylbenzoic acid

InChI: InChI=1S/C10H10O4/c1-6-8(10(12)13)4-3-5-9(6)14-7(2)11/h3-5H,1-2H3,(H,12,
13)

InChIKey: LHVJUPHCLWIPLZ-UHFFFAOYSA-N

Canonical SMILES : CC1=C(C=CC=C1OC(=O)C)C(=O)O