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100910-92-7,MFCD00021921
Catalog No.:AA00033A
100910-92-7 | 3-Pentanol, 1-ethoxy-
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  • Technical Information
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Technical Information
Catalog Number:
AA00033A
Chemical Name:
3-Pentanol, 1-ethoxy-
CAS Number:
100910-92-7
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
MDL Number:
MFCD00021921
IUPAC Name:
1-ethoxypentan-3-ol
InChI:
InChI=1S/C7H16O2/c1-3-7(8)5-6-9-4-2/h7-8H,3-6H2,1-2H3
InChI Key:
LQIBOAZAEQOEMM-UHFFFAOYSA-N
SMILES:
CCOCCC(CC)O
NSC Number:
163286
Properties
Computed Properties
 
Complexity:
54.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.115g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.203g/mol
Monoisotopic Mass:
132.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
1-Ethoxypentan-3-ol 
1-Ethoxy-3-pentanol 
AC1Q779N 
SCHEMBL3259045 
CTK0G8568 
DTXSID80303889 
AKOS024428990 
MCULE-7690462276 
NSC-163286 
AR-1C2847 
CID294551 
1010-38-4 
3-Pentanol, 1-ethoxy- 
LQIBOAZAEQOEMM-UHFFFAOYSA-N 
100910-92-7 
NSC163286 
ACMC-20crig 
1-Ethoxy-3-pentanol # 
AC1L6M5V 
AC1Q386V 
Literature
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