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113382-83-5 | Coronenecarboxaldehyde, methyl- (9CI)
CAS No: 113382-83-5 Catalog No: AG0008D2 MDL No:
Product Description
Catalog Number:
AG0008D2
Chemical Name:
Coronenecarboxaldehyde, methyl- (9CI)
CAS Number:
113382-83-5
Molecular Formula:
C26H14O
Molecular Weight:
342.3888
IUPAC Name:
2-methylcoronene-1-carbaldehyde
InChI:
InChI=1S/C26H14O/c1-13-18-10-8-16-6-4-14-2-3-15-5-7-17-9-11-19(20(13)12-27)26-24(17)22(15)21(14)23(16)25(18)26/h2-12H,1H3
InChI Key:
OBJBCPGSYHGICS-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.104g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.397g/mol
Monoisotopic Mass:
342.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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