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80336-10-3 | Cyclohexene, 4-[(pentyloxy)methylene]-
CAS No: 80336-10-3 Catalog No: AG0053NK MDL No:
Product Description
Catalog Number:
AG0053NK
Chemical Name:
Cyclohexene, 4-[(pentyloxy)methylene]-
CAS Number:
80336-10-3
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
4-(pentoxymethylidene)cyclohexene
InChI:
InChI=1S/C12H20O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h4-5,11H,2-3,6-10H2,1H3
InChI Key:
XCTUTEDPTGURAP-UHFFFAOYSA-N
SMILES:
CCCCCOC=C1CCC=CC1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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