2-Benzylsuccinic acid - CAS 3972-36-9
Catalog: |
BB024102 |
Product Name: |
2-Benzylsuccinic acid |
CAS: |
3972-36-9 |
Synonyms: |
(2S)-2-(phenylmethyl)butanedioic acid; (2S)-2-benzylbutanedioic acid |
IUPAC Name: | (2S)-2-benzylbutanedioic acid |
Description: | (S)-2-Benzylsuccinic Acid (CAS# 3972-36-9) is a useful research chemical. |
Molecular Weight: | 208.21 |
Molecular Formula: | C11H12O4 |
Canonical SMILES: | C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O |
InChI: | InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1 |
InChI Key: | GTOFKXZQQDSVFH-VIFPVBQESA-N |
Boiling Point: | 331.4 ℃ at 760 mmHg |
Purity: | 98.0% |
Density: | 1.29 g/cm3 |
Appearance: | White to almost white powder |
MDL: | MFCD00798341 |
LogP: | 1.40460 |
Publication Number | Title | Priority Date |
CN-112557566-A | Method for detecting corresponding isomer of mitiglinide calcium intermediate S-benzylsuccinic acid | 20201212 |
CN-111253244-A | Recycling method of (S) -2-benzylsuccinic acid resolution mother liquor | 20200310 |
CN-111253244-B | Recycling method of (S) -2-benzylsuccinic acid resolution mother liquor | 20200310 |
CN-110568100-A | mitiglinide calcium R-isomer detection method | 20190912 |
CN-109580821-B | Method for detecting impurity succinic acid in S-benzylsuccinic acid | 20181221 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.07355886 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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