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129201-92-9 | 2H-Pyran-6-carboxylic acid, 3,4-dihydro-, methyl ester
CAS No: 129201-92-9 Catalog No: AG000YY5 MDL No:MFCD08437369
Product Description
Catalog Number:
AG000YY5
Chemical Name:
2H-Pyran-6-carboxylic acid, 3,4-dihydro-, methyl ester
CAS Number:
129201-92-9
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD08437369
IUPAC Name:
methyl 3,4-dihydro-2H-pyran-6-carboxylate
InChI:
InChI=1S/C7H10O3/c1-9-7(8)6-4-2-3-5-10-6/h4H,2-3,5H2,1H3
InChI Key:
VMRNOXLRRZQVNX-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CCCCO1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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