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2,3-Diethylsuccinic acid

HCID 142002
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Basic information

CAS
1186-79-4
Standard SMILES
CCC(C(=O)O)C(CC)C(=O)O
InChIKey
KJXMXCRSMLOXBM-UHFFFAOYSA-N
Molecular formula
C8H14O4
Average molar mass
174.19 g/mol
Monoisotopic mass
174.08920893

Names & identifiers

Preferred name
2,3-Diethylsuccinic acid
IUPAC
2,3-diethylbutanedioic acid
English name
2,3-Diethylsuccinic acid
Molecular formula
C8H14O4
Molecular weight
174.19

Names & synonyms

2,3-DIETHYLSUCCINIC ACID1186-79-42,3-diethylbutanedioic acid35392-77-9meso-2,3-Diethylbutanedioic acidracemic-2,3-Diethylbutanedioic acidMFCD0225855035392-80-4meso-2,3-Diethylsuccinic acidSCHEMBL1604267SCHEMBL93044592,3-DIETHYLSUCCINICACID
Show more names
3,4-Hexanedicarboxylic acidButanedioic acid,2,3-diethyl-
DTXSID00922733AKOS006276894DB-005830F11636F235408

Database identifiers

CAS
1186-79-4、35392-77-9、35392-80-4
PubChem CID
142002
DTXSID
DTXSID00922733

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
12
Formal charge
0
Complexity
156

Physicochemical properties

Melting point
132 · 132-133℃
Density
1.156 · 1.156
refractive index
1.4273 · 1.4273
storage temp.
2 · 2-8°C

Chemistry & industry

Suppliers12 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Shanghai MOF Chemical Tech Limited13661494087 18964793018 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
上海相辉医药科技有限公司[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]

Related reactions

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Compound notes

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