4-nitrophenyl propanoate

4-nitrophenyl propanoate

CAS: 1956-06-5

Formula: C9H9NO4

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

IUPAC: 4-nitrophenyl propanoate

InChI: InChI=1S/C9H9NO4/c1-2-9(11)14-8-5-3-7(4-6-8)10(12)13/h3-6H,2H2,1H3

Composition: C (55.39%), H (4.65%), N (7.18%), O (32.79%)

Molar Mass: 195.174

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	195.053157774
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DCQWRDUXRZSWHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.14
Topological Polar Surface Area	69.44
Polarizability	18.53
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<14 Days	1956-06-5		$1,035.00-$2,070.00$1,035.00$2,070.00