12-(4-nitrophenoxy)dodecanoic acid

12-(4-nitrophenoxy)dodecanoic acid

CAS: 230613-81-7

Formula: C18H27NO5

SMILES: OC(=O)CCCCCCCCCCCOC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 12-(4-nitrophenoxy)dodecanoic acid

InChI: InChI=1S/C18H27NO5/c20-18(21)10-8-6-4-2-1-3-5-7-9-15-24-17-13-11-16(12-14-17)19(22)23/h11-14H,1-10,15H2,(H,20,21)

Composition: C (64.07%), H (8.07%), N (4.15%), O (23.71%)

Molar Mass: 337.416

Atom Count: 51

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	337.188922973
Formal Charge	0
FSP3	0.61
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	SVQZCSVOBTWEFB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	91.19
Topological Polar Surface Area	89.67
Polarizability	35.5
Ring Count	1
Rotatable Bond Count	14

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