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20701-68-2

20701-68-2 | 9-Octadecenedioic acid, (9Z)-

CAS No: 20701-68-2 Catalog No: AG002ITY MDL No:

Product Description

Catalog Number:
AG002ITY
Chemical Name:
9-Octadecenedioic acid, (9Z)-
CAS Number:
20701-68-2
Molecular Formula:
C18H32O4
Molecular Weight:
312.4443
IUPAC Name:
(Z)-octadec-9-enedioic acid
InChI:
InChI=1S/C18H32O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2H,3-16H2,(H,19,20)(H,21,22)/b2-1-
InChI Key:
SBLKVIQSIHEQOF-UPHRSURJSA-N
SMILES:
OC(=O)CCCCCCC/C=C\CCCCCCCC(=O)O
EC Number:
606-606-7
UNII:
565ZMT5QRG

Properties

Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
312.23g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
312.45g/mol
Monoisotopic Mass:
312.23g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

Literature

Title Journal
Effect of emulsifiers and their liquid crystalline structures in emulsions on dermal and transdermal delivery of hydroquinone, salicylic acid and octadecenedioic acid. Skin pharmacology and physiology 20100101
Quantitative determination of octadecenedioic acid in human skin and transdermal perfusates by gas chromatography-mass spectrometry. Journal of chromatographic science 20080701
Skin-lightening effects of a new face care product in patients with melasma. Journal of cosmetic dermatology 20080301
Effect of penetration modifiers on the dermal and transdermal delivery of drugs and cosmetic active ingredients. Skin pharmacology and physiology 20080101

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