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115372-36-6 | 2-Propenoic acid, 2-methyl-, 3-hydroxytricyclo[3.3.1.13,7]dec-1-yl ester
CAS No: 115372-36-6 Catalog No: AG000GMS MDL No:MFCD13152044
Product Description
Catalog Number:
AG000GMS
Chemical Name:
2-Propenoic acid, 2-methyl-, 3-hydroxytricyclo[3.3.1.13,7]dec-1-yl ester
CAS Number:
115372-36-6
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
MDL Number:
MFCD13152044
IUPAC Name:
(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C14H20O3/c1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14/h10-11,16H,1,3-8H2,2H3
InChI Key:
OOIBFPKQHULHSQ-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OC12CC3CC(C1)CC(C2)(C3)O
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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