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106180-25-0

106180-25-0 | 1-Cyclopentene-1-carboxaldehyde, 2-(1-hexynyl)-

CAS No: 106180-25-0 Catalog No: AG00844F MDL No:

Product Description

Catalog Number:
AG00844F
Chemical Name:
1-Cyclopentene-1-carboxaldehyde, 2-(1-hexynyl)-
CAS Number:
106180-25-0
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
2-hex-1-ynylcyclopentene-1-carbaldehyde
InChI:
InChI=1S/C12H16O/c1-2-3-4-5-7-11-8-6-9-12(11)10-13/h10H,2-4,6,8-9H2,1H3
InChI Key:
LPGYOVBNKAKLBB-UHFFFAOYSA-N
SMILES:
CCCCC#CC1=C(C=O)CCC1

Properties

Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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