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2-(4-methyl-2-nitrophenoxy)butanoic acid

2-(4-methyl-2-nitrophenoxy)butanoic acid

CAS: 869948-83-4

Formula: C11H13NO5

SMILES: CCC(OC1=C(C=C(C)C=C1)[N+]([O-])=O)C(O)=O

IUPAC: 2-(4-methyl-2-nitrophenoxy)butanoic acid

InChI: InChI=1/C11H13NO5/c1-3-9(11(13)14)17-10-5-4-7(2)6-8(10)12(15)16/h4-6,9H,3H2,1-2H3,(H,13,14)

Composition: C (55.23%), H (5.48%), N (5.86%), O (33.44%)

Molar Mass: 239.227

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 239.079372523
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey MWKMORRXGBNTIF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.99
Topological Polar Surface Area 89.67
Polarizability 22.62
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 869948-83-4 $101.60$101.60
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