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88981-53-7 | 2H-Pyran-2-one, 5,6-dihydro-3-[(methoxymethoxy)methyl]-
CAS No: 88981-53-7 Catalog No: AG00454H MDL No:
Product Description
Catalog Number:
AG00454H
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-3-[(methoxymethoxy)methyl]-
CAS Number:
88981-53-7
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
IUPAC Name:
5-(methoxymethoxymethyl)-2,3-dihydropyran-6-one
InChI:
InChI=1S/C8H12O4/c1-10-6-11-5-7-3-2-4-12-8(7)9/h3H,2,4-6H2,1H3
InChI Key:
BTASOPJMRMPPIK-UHFFFAOYSA-N
SMILES:
COCOCC1=CCCOC1=O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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