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1821-23-4 | Benzene, 1-(1-cyclohexen-1-yl)-4-methyl-
CAS No: 1821-23-4 Catalog No: AG0023D5 MDL No:
Product Description
Catalog Number:
AG0023D5
Chemical Name:
Benzene, 1-(1-cyclohexen-1-yl)-4-methyl-
CAS Number:
1821-23-4
Molecular Formula:
C13H16
Molecular Weight:
172.2661
IUPAC Name:
1-(cyclohexen-1-yl)-4-methylbenzene
InChI:
InChI=1S/C13H16/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h5,7-10H,2-4,6H2,1H3
InChI Key:
YAOVYZVTIFLTSH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=CCCCC1
NSC Number:
102326
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.125g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.271g/mol
Monoisotopic Mass:
172.125g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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