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18867-39-5 | Spiro[2.6]nona-4,6,8-triene-1,2-dicarboxylic acid, dimethyl ester, trans- (8CI,9CI)
CAS No: 18867-39-5 Catalog No: AG002H4T MDL No:
Product Description
Catalog Number:
AG002H4T
Chemical Name:
Spiro[2.6]nona-4,6,8-triene-1,2-dicarboxylic acid, dimethyl ester, trans- (8CI,9CI)
CAS Number:
18867-39-5
Molecular Formula:
C13H14O4
Molecular Weight:
234.2479
IUPAC Name:
dimethyl (1S,2S)-spiro[2.6]nona-4,6,8-triene-1,2-dicarboxylate
InChI:
InChI=1S/C13H14O4/c1-16-11(14)9-10(12(15)17-2)13(9)7-5-3-4-6-8-13/h3-10H,1-2H3/t9-,10-/m1/s1
InChI Key:
IZTPIQUSURJZRY-NXEZZACHSA-N
SMILES:
COC(=O)[C@H]1[C@@H](C21C=CC=CC=C2)C(=O)OC
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
234.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.251g/mol
Monoisotopic Mass:
234.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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