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102539-71-9

102539-71-9 | 2H-Pyran-3-acetic acid, tetrahydro-

CAS No: 102539-71-9 Catalog No: AG0007O2 MDL No:MFCD10700199

Product Description

Catalog Number:
AG0007O2
Chemical Name:
2H-Pyran-3-acetic acid, tetrahydro-
CAS Number:
102539-71-9
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD10700199
IUPAC Name:
2-(oxan-3-yl)acetic acid
InChI:
InChI=1S/C7H12O3/c8-7(9)4-6-2-1-3-10-5-6/h6H,1-5H2,(H,8,9)
InChI Key:
FXLVHFGMKHRPIU-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCOC1

Properties

Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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