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3-Amino-1,1-dioxo-tetrahydro-1l6-thiophene-3-carboxylicacid

3-Amino-1,1-dioxo-tetrahydro-1l6-thiophene-3-carboxylicacid structure

CAS No:
40057-27-0
Formula:
C5H9NO4S
Chemical Name:
3-Amino-1,1-dioxo-tetrahydro-1l6-thiophene-3-carboxylicacid
Synonyms:
AKOS012468094;SC-29871;3-Amino-1,1-dioxo-tetrahydro-1l6-thiophene-3-carbo

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3-Amino-1,1-dioxo-tetrahydro-1l6-thiophene-3-carboxylicacid Basic Attributes

Molecular Weight：

179.19

Exact Mass：

179.025

Characteristics

PSA：

106

XLogP3：

-4

Safety Information

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:179.20
XLogP3:-4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:179.02522894
Monoisotopic Mass:179.02522894
Topological Polar Surface Area:106
Heavy Atom Count:11
Complexity:277
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Amino-1,1-dioxo-tetrahydro-1l6-thiophene-3-carboxylicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties

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