Home Carboxys 2H-Pyran-4-carboxylic acid, tetrahydro-, phenylmethyl ester

2H-Pyran-4-carboxylic acid, tetrahydro-, phenylmethyl ester

CAS No.:
871022-58-1
Catalog Number:
AG00IECQ
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
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Product Description
Catalog Number:
AG00IECQ
Chemical Name:
2H-Pyran-4-carboxylic acid, tetrahydro-, phenylmethyl ester
CAS Number:
871022-58-1
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD11976280
IUPAC Name:
benzyl oxane-4-carboxylate
InChI:
InChI=1S/C13H16O3/c14-13(12-6-8-15-9-7-12)16-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChI Key:
RXYRKEYNYDYBOQ-UHFFFAOYSA-N
SMILES:
O=C(C1CCOCC1)OCc1ccccc1
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties