Home Aldehydes 2-Chloro-3-(hydroxymethylene)-1-cyclohexene-1-carboxaldehyde

2-Chloro-3-(hydroxymethylene)-1-cyclohexene-1-carboxaldehyde

CAS No.:
61010-04-6
Catalog Number:
AG0037ER
Molecular Formula:
C8H9ClO2
Molecular Weight:
172.6089
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Product Description
Catalog Number:
AG0037ER
Chemical Name:
2-Chloro-3-(hydroxymethylene)-1-cyclohexene-1-carboxaldehyde
CAS Number:
61010-04-6
Molecular Formula:
C8H9ClO2
Molecular Weight:
172.6089
MDL Number:
MFCD01863678
IUPAC Name:
2-chloro-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde
InChI:
InChI=1S/C8H9ClO2/c9-8-6(4-10)2-1-3-7(8)5-11/h4-5,10H,1-3H2
InChI Key:
JWUQFQYYMGMPKE-UHFFFAOYSA-N
SMILES:
OC=C1CCCC(=C1Cl)C=O
EC Number:
700-766-2
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.029g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.608g/mol
Monoisotopic Mass:
172.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.1  
Properties