2-Methyl-3-nitro-benzeneacetic acid CAS NO.23876-15-5

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Keywords

2-Methyl-3-nitro-benzeneacetic acid

Quick Details

ProName: 2-Methyl-3-nitro-benzeneacetic acid
CasNo: 23876-15-5
Molecular Formula: C9H9NO4
Appearance: yellow or off-white powder
DeliveryTime: in 1-2 days after payment
Port: shanghai
ProductionCapacity: Metric Ton/Day
Purity: 99%min
Storage: sealed storage in shady and cool wareh...
Transportation: by air or by sea
LimitNum: 0 Metric Ton

Superiority

1. Introduction of2-Methyl-3-nitro-benzeneacetic acid

The 2-Methyl-3-nitro-benzeneacetic acid, with its CAS NO23876-15-5, is a kind ofoff w

Details

1. Introduction of 2-Methyl-3-nitro-benzeneacetic acid

The 2-Methyl-3-nitro-benzeneacetic acid, with its CAS NO 23876-15-5, is a kind of off white powder. It has synonyms of 2-Methyl-3-nitrophenylacetic acid. 2-Methyl-3-nitro-benzeneacetic acid should be stored in shady cool warehouse.

2. Properties of 2-Methyl-3-nitro-benzeneacetic acid

(1) XLogP3 2.1 (2) H-Bond Accept3 (3) Rotatable Bond Count 1
(4) Exact Mass 176.058578 (5) MonoIsotopic Mass 176.058578
(6) Topological Polar Surface Area 69.6 (7) Heavy Atom Count 13
(8) Complexity 238 (9) Covalently-Bonded Unit Count 1 (10) Feature 3D AcceptCount 3
(11) Feature 3D Anion Count 1 (12) Feature 3D Ring Count 1 (13) Effective RotCount 2
(14) Conformer Sampling RMSD 0.6 (15) CID Conformer Count 3

3. Structure descriptors of 2-Methyl-3-nitro-benzeneacetic acid

IUPAC Name: 2-(2-methyl-3-nitrophenyl)acetonitrile

InChI: InChI=1S/C9H8N2O2/c1-7-8(5-6-10)3-2-4-9(7)11(12)13/h2-4H,5H2,1H3

InChIKey: CFNZYZHZLNOYFQ-UHFFFAOYSA-N

Canonical SMILES : CC1=C(C=CC=C1[N+](=O)[O-])CC#N