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94213-09-9

94213-09-9 | 3-(diphenylmethylidene)cyclopenta-1,4-diene-1-carbaldehyde

CAS No: 94213-09-9 Catalog No: AG0065WV MDL No:

Product Description

Catalog Number:
AG0065WV
Chemical Name:
3-(diphenylmethylidene)cyclopenta-1,4-diene-1-carbaldehyde
CAS Number:
94213-09-9
Molecular Formula:
C19H14O
Molecular Weight:
258.3139
IUPAC Name:
3-benzhydrylidenecyclopenta-1,4-diene-1-carbaldehyde
InChI:
InChI=1S/C19H14O/c20-14-15-11-12-18(13-15)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChI Key:
CKTDGOYGNVYFKB-UHFFFAOYSA-N
SMILES:
O=CC1=CC(=C(c2ccccc2)c2ccccc2)C=C1
NSC Number:
120608

Properties

Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.104g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.32g/mol
Monoisotopic Mass:
258.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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