641-81-6,MFCD00003622
Catalog No.:AA00EFUM

641-81-6 | APOCHOLIC ACID

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  • Properties
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Technical Information
Catalog Number:
AA00EFUM
Chemical Name:
APOCHOLIC ACID
CAS Number:
641-81-6
Molecular Formula:
C24H38O4
Molecular Weight:
390.5561
MDL Number:
MFCD00003622
SMILES:
O[C@@H]1CC[C@]2([C@@H](C1)CCC1=C3[C@@]([C@H](C[C@H]21)O)(C)[C@H](CC3)[C@@H](CCC(=O)O)C)C
Properties
Computed Properties
 
Complexity:
670  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Literature
Quotation Request
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Additional Info:
SDS
Tags:641-81-6 Molecular Formula|641-81-6 MDL|641-81-6 SMILES|641-81-6 APOCHOLIC ACID
Catalog No.: AA00EFUM
641-81-6,MFCD00003622
641-81-6 | APOCHOLIC ACID
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00EFUM
Chemical Name: APOCHOLIC ACID
CAS Number: 641-81-6
Molecular Formula: C24H38O4
Molecular Weight: 390.5561
MDL Number: MFCD00003622
SMILES: O[C@@H]1CC[C@]2([C@@H](C1)CCC1=C3[C@@]([C@H](C[C@H]21)O)(C)[C@H](CC3)[C@@H](CCC(=O)O)C)C
Properties
Complexity: 670  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 8  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 28  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
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