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178242-93-8

178242-93-8 | 2H-Pyran-4-acetic acid, 4-aminotetrahydro-, methyl ester

CAS No: 178242-93-8 Catalog No: AG0025V6 MDL No:MFCD07784121

Product Description

Catalog Number:
AG0025V6
Chemical Name:
2H-Pyran-4-acetic acid, 4-aminotetrahydro-, methyl ester
CAS Number:
178242-93-8
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
MDL Number:
MFCD07784121
IUPAC Name:
methyl 2-(4-aminooxan-4-yl)acetate
InChI:
InChI=1S/C8H15NO3/c1-11-7(10)6-8(9)2-4-12-5-3-8/h2-6,9H2,1H3
InChI Key:
GQUKUDVUDSFVIG-UHFFFAOYSA-N
SMILES:
COC(=O)CC1(N)CCOCC1

Properties

Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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