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10133-67-2

10133-67-2 | 2-Furancarboxylic acid, tetrahydro-5-(phenylmethyl)-

CAS No: 10133-67-2 Catalog No: AG00048O MDL No:MFCD19302226

Product Description

Catalog Number:
AG00048O
Chemical Name:
2-Furancarboxylic acid, tetrahydro-5-(phenylmethyl)-
CAS Number:
10133-67-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD19302226
IUPAC Name:
5-benzyloxolane-2-carboxylic acid
InChI:
InChI=1S/C12H14O3/c13-12(14)11-7-6-10(15-11)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
InChI Key:
GGPMLBMXKHHJCA-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(O1)Cc1ccccc1

Properties

Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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