methyl oxane-2-carboxylate

methyl oxane-2-carboxylate

CAS: 84355-44-2

Formula: C7H12O3

SMILES: COC(=O)C1CCCCO1

IUPAC: methyl oxane-2-carboxylate

InChI: InChI=1/C7H12O3/c1-9-7(8)6-4-2-3-5-10-6/h6H,2-5H2,1H3

Composition: C (58.32%), H (8.39%), O (33.29%)

Molar Mass: 144.17

Atom Count: 22

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	144.078644246
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MHZRCUVVJMWSMP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.75
Topological Polar Surface Area	35.53
Polarizability	14.4
Ring Count	1
Rotatable Bond Count	2

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