benzyl hydrogen oxalate

benzyl hydrogen oxalate

CAS: 35448-14-7

Formula: C9H8O4

SMILES: OC(=O)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl hydrogen oxalate

InChI: InChI=1S/C9H8O4/c10-8(11)9(12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)

Composition: C (60.00%), H (4.48%), O (35.52%)

Molar Mass: 180.159

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.042258738
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VYLDBYOSHBXGNF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.82
Topological Polar Surface Area	63.6
Polarizability	17.19
Ring Count	1
Rotatable Bond Count	4

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