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20920-03-0 | Cycloheptanecarboxylic acid, 1-hydroxy-
CAS No: 20920-03-0 Catalog No: AG002K3I MDL No:MFCD00021673
Product Description
Catalog Number:
AG002K3I
Chemical Name:
Cycloheptanecarboxylic acid, 1-hydroxy-
CAS Number:
20920-03-0
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD00021673
IUPAC Name:
1-hydroxycycloheptane-1-carboxylic acid
InChI:
InChI=1S/C8H14O3/c9-7(10)8(11)5-3-1-2-4-6-8/h11H,1-6H2,(H,9,10)
InChI Key:
IVOHSGDSPNQSDJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(O)CCCCCC1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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