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100313-48-2 | 2H-Pyran-3-carboxylic acid, 5,6-dihydro-
CAS No: 100313-48-2 Catalog No: AG0001LR MDL No:MFCD11007815
Product Description
Catalog Number:
AG0001LR
Chemical Name:
2H-Pyran-3-carboxylic acid, 5,6-dihydro-
CAS Number:
100313-48-2
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD11007815
IUPAC Name:
3,6-dihydro-2H-pyran-5-carboxylic acid
InChI:
InChI=1S/C6H8O3/c7-6(8)5-2-1-3-9-4-5/h2H,1,3-4H2,(H,7,8)
InChI Key:
KZYJYFKCCFWQQU-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CCCOC1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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