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Dimethyl 1,3-adamantanedicarboxylate

Catalog Number
ACM1459956
CAS Number
1459-95-6
Product Name
Dimethyl 1,3-adamantanedicarboxylate
Structure
Category
Self Assembly and Lithography
Synonyms
DMADC
IUPAC Name
dimethyl adamantane-1,3-dicarboxylate
Molecular Weight
252.31g/mol
Molecular Formula
C14H20O4
Canonical SMILES
COC(=O)[C@]12CC3CC(C1)C[C@@](C3)(C2)C(=O)OC
InChI
1S/C14H20O4/c1-17-11(15)13-4-9-3-10(5-13)7-14(6-9,8-13)12(16)18-2/h9-10H,3-8H2,1-2H3/t9-,10+,13+,14-
InChI Key
YXMDGBXGJKYMQL-DHPDLVEQSA-N
Melting Point
60-61 °C (lit.)
Storage
room temp
Assay
98%
Complexity
353
Covalently-Bonded Unit Count
1
Exact Mass
252.136159g/mol
Formal Charge
0
Heavy Atom Count
18
MDL Number
MFCD00167791
Monoisotopic Mass
252.136159g/mol
NSC Number
632548
Packaging
5 g in glass bottle
Rotatable Bond Count
4
XLogP3
1.8
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