Home Other Building Blocks METHYL4-HYDROXYADAMANTAN-1-CARBOXYLATE-M28038

METHYL4-HYDROXYADAMANTAN-1-CARBOXYLATE-M28038

CAS No.:
81968-76-5
Catalog Number:
AG019G1Q
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
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Product Description
Catalog Number:
AG019G1Q
Chemical Name:
METHYL4-HYDROXYADAMANTAN-1-CARBOXYLATE-M28038
CAS Number:
81968-76-5
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
MDL Number:
MFCD00167871
IUPAC Name:
methyl 4-hydroxyadamantane-1-carboxylate
InChI:
InChI=1S/C12H18O3/c1-15-11(14)12-4-7-2-8(5-12)10(13)9(3-7)6-12/h7-10,13H,2-6H2,1H3
InChI Key:
HWVZUHZRMUARMJ-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC3CC(C2)C(C(C1)C3)O
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties