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ethyl 2-[4-(nitromethyl)oxan-4-yl]acetate

ethyl 2-[4-(nitromethyl)oxan-4-yl]acetate

CAS: 205827-21-0

Formula: C10H17NO5

SMILES: CCOC(=O)CC1(C[N+]([O-])=O)CCOCC1

IUPAC: ethyl 2-[4-(nitromethyl)oxan-4-yl]acetate

InChI: InChI=1S/C10H17NO5/c1-2-16-9(12)7-10(8-11(13)14)3-5-15-6-4-10/h2-8H2,1H3

Composition: C (51.94%), H (7.41%), N (6.06%), O (34.59%)

Molar Mass: 231.248

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 231.110672651
Formal Charge 0
FSP3 0.9
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey LRVRJOBNSSTGDL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.06
Topological Polar Surface Area 78.67
Polarizability 21.92
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 205827-21-0 $56.03-$206.39$56.03$103.19$206.39
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