Home Carboxys 3-(Carboxymethyl);adamantane-1-carboxylic acid

3-(Carboxymethyl);adamantane-1-carboxylic acid

CAS No.:
56531-58-9
Catalog Number:
AG003J5W
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
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Product Description
Catalog Number:
AG003J5W
Chemical Name:
3-(Carboxymethyl);adamantane-1-carboxylic acid
CAS Number:
56531-58-9
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
MDL Number:
MFCD00218940
IUPAC Name:
3-(carboxymethyl)adamantane-1-carboxylic acid
InChI:
InChI=1S/C13H18O4/c14-10(15)6-12-2-8-1-9(3-12)5-13(4-8,7-12)11(16)17/h8-9H,1-7H2,(H,14,15)(H,16,17)
InChI Key:
YQXJBYAQGPMUEP-UHFFFAOYSA-N
SMILES:
OC(=O)CC12CC3CC(C1)CC(C2)(C3)C(=O)O
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties