2-Methyl-3-nitrobenzoic acid CAS NO.1975-50-4

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Keywords

2-Methyl-3-nitrobenzoic acid

Quick Details

ProName: 2-Methyl-3-nitrobenzoic acid
CasNo: 1975-50-4
Molecular Formula: C8H7NO4
DeliveryTime: in 1-2 days after payment
Port: shanghai
ProductionCapacity: Metric Ton/Day
Purity: 98%
Storage: sealed storage in shady and cool wareh...
Transportation: by air or by sea
LimitNum: 0 Metric Ton

Superiority

1. Introduction of2-Methyl-3-nitrobenzoic acid

The 2-Methyl-3-nitrobenzoic acid, with its CAS NO1975-50-4, is a kind ofOff-white crystallin

Details

1. Introduction of 2-Methyl-3-nitrobenzoic acid

The 2-Methyl-3-nitrobenzoic acid, with its CAS NO 1975-50-4, is a kind of Off-white crystalline powder. It has synonyms of o-Toluicacid, 3-nitro- (6CI,7CI,8CI);3-Nitro-2-methylbenzoic acid 3-Nitro-o-toluic acid. 2-Methyl-3-nitrobenzoic acid should be stored in shady cool warehouse.

2. Properties of 2-Methyl-3-nitrobenzoic acid

(1) XLogP3-AA 1.6 (2) H-Bond Don1 (3) H-Bond Accept4
(4) Rotatable Bond Count 1 (5) Exact Mass 181.037508 (6) MonoIsotopic Mass 181.037508
(7) Topological Polar Surface Area 83.1 (8) Heavy Atom Count 13 (9) Complexity 223
(10) Covalently-Bonded Unit Count 1 (11) Feature 3D AcceptCount 4
(12) Feature 3D Anion Count 2 (13) Feature 3D Ring Count 1 (14) Effective RotCount 2
(15) Conformer Sampling RMSD 0.6 (16) CID Conformer Count 2

3. Structure descriptors of 2-Methyl-3-nitrobenzoic acid

IUPAC Name: 2-methyl-3-nitrobenzoic acid

InChI: InChI=1S/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)

InChIKey: YPQAFWHSMWWPLX-UHFFFAOYSA-N

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