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ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate

ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate structure

CAS No:
4095-03-8
Formula:
C16H26O5
Chemical Name:
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate
Synonyms:
4095-03-8;NSC251079;DIETHYL 2-OXO-1,3-CYCLOHEXANEDIPROPIONATE;SCHEMBL10642886;2-OXO-1, DIETHYL ESTER;DTXSID70312203;ethyl 3-[3-(2-ethoxycarbonylethyl)-2-oxo-cyclohexyl]propanoate;AKOS024323881;MCULE-2436389912;NSC-251079;DS-011014;Diethyl 3,3'-(2-oxocyclohexane-1,3-diyl)dipropanoate

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ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate Basic Attributes

Molecular Weight：

298.37 g/mol

Exact Mass：

298.17802393 g/mol

NSC Number：

251079

DSSTox ID：

DTXSID70312203

Characteristics

PSA：

69.7 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:298.37
XLogP3:2.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:298.17802393
Monoisotopic Mass:298.17802393
Topological Polar Surface Area:69.7
Heavy Atom Count:21
Complexity:332
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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