Home Carboxys octahydro-1-benzofuran-3a-carboxylic acid

octahydro-1-benzofuran-3a-carboxylic acid

CAS No.:
1513233-00-5
Catalog Number:
AG01BQOW
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
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Product Description
Catalog Number:
AG01BQOW
Chemical Name:
octahydro-1-benzofuran-3a-carboxylic acid
CAS Number:
1513233-00-5
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD30501748
IUPAC Name:
3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-carboxylic acid
InChI:
InChI=1S/C9H14O3/c10-8(11)9-4-2-1-3-7(9)12-6-5-9/h7H,1-6H2,(H,10,11)
InChI Key:
NMYNKOQEGFGLCD-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCCCC2OCC1
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties