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5662-95-3,MFCD00006678
Catalog No.:AA003NG6
5662-95-3 | 3,3-Tetramethyleneglutaric anhydride
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Technical Information
Catalog Number:
AA003NG6
Chemical Name:
3,3-Tetramethyleneglutaric anhydride
CAS Number:
5662-95-3
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD00006678
IUPAC Name:
8-oxaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C9H12O3/c10-7-5-9(3-1-2-4-9)6-8(11)12-7/h1-6H2
InChI Key:
GFWLMILMVMCJDI-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)CC2(C1)CCCC2
EC Number:
227-116-6
NSC Number:
78448
Properties
Computed Properties
 
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
3,3-tetramethyleneglutaric anhydride 
8-Oxaspiro[4.5]decane-7,9-dione 
AC1Q6MFK 
AC1L2Y1U 
AC1Q6EF8 
SCHEMBL194872 
CTK1H1583 
1,1-CyclopentanediaceticAnhydride 
DTXSID20205196 
1,1-cyclopentane-diacetic anhydride 
8-oxaspiro[4.5]decan-7,9-dione 
ALBB-021317 
5662-95-3 
NSC78448 
STR07022 
8-Oxaspiro[4.5]-7,9-decanedione 
ANW-32562 
MFCD00006678 
NSC-78448 
SBB061658 
ZINC95736206 
3,3-tetramethylene glutaric anhydride 
AKOS001079807 
3,3-Tetramethyleneglutaric anhydride 
MCULE-5896356616 
NE33800 
SB13095 
VZ25400 
beta,beta-Tetramethyleneglutaric anhydride 
P715 
3,3-Tetramethyleneglutaric anhydride, 98% 
AB1003165 
TC-121307 
FT-0635798 
1,1-Cyclopentanediacetic anhydride 
ST51047657 
EN300-18613 
KS-00001307 
I14-1892 
1,1-Cyclopentanediacetic acid; 8-Oxaspiro[4.5]decane-7,9-dione 
C9H12O3 
3,3-Tetramethyleneglutaricanhydride 
CID79743 
8-Oxaspiro(4.5)decane-7,9-dione 
AR-1H4838 
Cyclopentane-1,1-diacetic anhydride 
c0839 
C9-H12-O3 
5827-29-2 
GFWLMILMVMCJDI-UHFFFAOYSA-N 
.beta.,.beta.-Tetramethyleneglutaric anhydride 
EINECS 227-116-6 
ACMC-209ltw 
Literature

Title: Calorimetric and computational thermochemical study of 3,3-tetramethyleneglutaric acid, 3,3-tetramethyleneglutaric anhydride, and 3,3-tetramethyleneglutarimide.

Journal: The journal of physical chemistry. A 20081009

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