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1,4-dimethoxybutan-2-one

1,4-dimethoxybutan-2-one structure

CAS No:
25680-86-8
Formula:
C6H12O3
Chemical Name:
1,4-dimethoxybutan-2-one
Synonyms:
1,4-dimethoxybutan-2-one;25680-86-8;1,4-dimethoxy-2-butanone;2-Butanone,1,4-dimethoxy-;NSC105799;NCIOpen2_002137;ghl.PD_Mitscher_leg0.750;SCHEMBL4702066;DTXSID10948565;ZINC1868210;AKOS017478196;NSC-105799;DS-003947;Z2168542030

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1,4-dimethoxybutan-2-one Basic Attributes

Molecular Weight：

132.16 g/mol

Exact Mass：

132.078644241 g/mol

NSC Number：

105799

Characteristics

PSA：

35.5 Å²

Safety Information

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:132.16
XLogP3:-0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:132.078644241
Monoisotopic Mass:132.078644241
Topological Polar Surface Area:35.5
Heavy Atom Count:9
Complexity:80.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-dimethoxybutan-2-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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