Home Halogens 2-chloro-5-methylcyclohex-1-ene-1-carboxylic acid

2-chloro-5-methylcyclohex-1-ene-1-carboxylic acid

CAS No.:
90003-14-8
Catalog Number:
AG01DWT3
Molecular Formula:
C8H11ClO2
Molecular Weight:
174.6247
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Product Description
Catalog Number:
AG01DWT3
Chemical Name:
2-chloro-5-methylcyclohex-1-ene-1-carboxylic acid
CAS Number:
90003-14-8
Molecular Formula:
C8H11ClO2
Molecular Weight:
174.6247
MDL Number:
MFCD11207310
IUPAC Name:
2-chloro-5-methylcyclohexene-1-carboxylic acid
InChI:
InChI=1S/C8H11ClO2/c1-5-2-3-7(9)6(4-5)8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChI Key:
XXIXGILTWJTYND-UHFFFAOYSA-N
SMILES:
CC1CC(=C(CC1)Cl)C(=O)O
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.624g/mol
Monoisotopic Mass:
174.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties