methyl 4-(4-nitrophenoxy)butanoate

methyl 4-(4-nitrophenoxy)butanoate

CAS: 28341-53-9

Formula: C11H13NO5

SMILES: COC(=O)CCCOC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: methyl 4-(4-nitrophenoxy)butanoate

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

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	0
Exact Mass	239.079372523
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	MJMZBXYBWMBFNY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.15
Topological Polar Surface Area	78.67
Polarizability	22.93
Ring Count	1
Rotatable Bond Count	7

Suppliers

Frinton Laboratories, Inc.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<10 Days	28341-53-9		$58.50-$248.40$58.50$248.40

Light yellow crystalline