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128990-79-4 | 1-Azulenecarboxylic acid, 3-formyl-, methyl ester
CAS No: 128990-79-4 Catalog No: AG000YQU MDL No:
Product Description
Catalog Number:
AG000YQU
Chemical Name:
1-Azulenecarboxylic acid, 3-formyl-, methyl ester
CAS Number:
128990-79-4
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
methyl 3-formylazulene-1-carboxylate
InChI:
InChI=1S/C13H10O3/c1-16-13(15)12-7-9(8-14)10-5-3-2-4-6-11(10)12/h2-8H,1H3
InChI Key:
HYZVHLRYYQSQNA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c2c1ccccc2)C=O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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