Home Carboxys 4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid

4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid

CAS No.:
828-52-4
Catalog Number:
AG008I5A
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
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Product Description
Catalog Number:
AG008I5A
Chemical Name:
4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid
CAS Number:
828-52-4
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD20640208
IUPAC Name:
4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid
InChI:
InChI=1S/C10H16O3/c11-7-9-1-4-10(5-2-9,6-3-9)8(12)13/h11H,1-7H2,(H,12,13)
InChI Key:
CPVMAYNPSFMOGK-UHFFFAOYSA-N
SMILES:
OCC12CCC(CC1)(CC2)C(=O)O
NSC Number:
177415
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties