ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate

ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate

CAS: 1045709-38-3

Formula: C8H13NO5

SMILES: CCOC(=O)CC1(C[N+]([O-])=O)COC1

IUPAC: ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate

InChI: InChI=1S/C8H13NO5/c1-2-14-7(10)3-8(4-9(11)12)5-13-6-8/h2-6H2,1H3

Composition: C (47.29%), H (6.45%), N (6.89%), O (39.37%)

Molar Mass: 203.194

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	203.079372523
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ADFBBDNXRMDBHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.55
Topological Polar Surface Area	78.67
Polarizability	18.29
Ring Count	1
Rotatable Bond Count	6

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