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70468-44-9 | MONOETHYL 2-ADAMANTYLIDENESUCCINATE
CAS No: 70468-44-9 Catalog No: AG005IKO MDL No:
Product Description
Catalog Number:
AG005IKO
Chemical Name:
MONOETHYL 2-ADAMANTYLIDENESUCCINATE
CAS Number:
70468-44-9
Molecular Formula:
C16H21O4-
Molecular Weight:
277.3355
IUPAC Name:
3-(2-adamantylidene)-4-ethoxy-4-oxobutanoate
InChI:
InChI=1S/C16H22O4/c1-2-20-16(19)13(8-14(17)18)15-11-4-9-3-10(6-11)7-12(15)5-9/h9-12H,2-8H2,1H3,(H,17,18)/p-1
InChI Key:
MHKVXLDHSXKUJZ-UHFFFAOYSA-M
SMILES:
CCOC(=O)C(=C1C2CC3CC1CC(C2)C3)CC(=O)[O-]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.144g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.34g/mol
Monoisotopic Mass:
277.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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