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(S)-2-ISOPROPYLSUCCINICACID-1-METHYLESTER

(S)-2-ISOPROPYLSUCCINICACID-1-METHYLESTER structure

CAS No:
208113-95-5
Formula:
C8H14O4
Chemical Name:
(S)-2-ISOPROPYLSUCCINICACID-1-METHYLESTER
Synonyms:
(S)-2-ISOPROPYLSUCCINIC ACID-1-METHYL ESTER;(S)-3-METHOXYCARBONYL-4-METHYLPENTANOIC ACID;(S)-2-ISOPROPYLSUCCINIC ACID-1-METHYL ESTER, 95%, 98% EE;(S)-2-Isopropylsuccinic acid-1-methyl ester, 98% ee;Butanedioic acid, 2-(1-methylethyl)-, 1-methyl ester, (2S)-

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(S)-2-ISOPROPYLSUCCINICACID-1-METHYLESTER Basic Attributes

Molecular Weight：

174.19

Exact Mass：

174.08920892

HScode：

2918990090

Characteristics

PSA：

63.60000

XLogP3：

0.90630

Density：

1.0817

Boiling Point：

225.17°C (rough estimate)

Flash Point：

104.3ºC

Refractive Index：

1.4630 (estimate)

Storage Conditions：

Refrigerator (+4ºC)

PKA：

4.41±0.19

Safety Information

Hazard category：

IRRITANT

safety instructions：

24/25

Computed Properties

Molecular Weight:174.19
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:174.08920892
Monoisotopic Mass:174.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:12
Complexity:174
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (S)-2-ISOPROPYLSUCCINICACID-1-METHYLESTER

Basic Attributes
Characteristics
Safety Information
Computed Properties

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