methyl 4-(hydroxymethyl)-3-nitrobenzoate

methyl 4-(hydroxymethyl)-3-nitrobenzoate

Formula: C9H9NO5

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

IUPAC: methyl 4-(hydroxymethyl)-3-nitrobenzoate

InChI: InChI=1S/C9H9NO5/c1-15-9(12)6-2-3-7(5-11)8(4-6)10(13)14/h2-4,11H,5H2,1H3

Composition: C (51.19%), H (4.30%), N (6.63%), O (37.88%)

Molar Mass: 211.173

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.048072394
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VJFYRPYYFMEHPF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.22
Topological Polar Surface Area	89.67
Polarizability	19.2
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H9NO5		Quote Only