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1228943-80-3 | 1-Cyclohexene-1-carboxaldehyde, 2-chloro-4,4-dimethyl-
CAS No: 1228943-80-3 Catalog No: AG000JPG MDL No:MFCD24687002
Product Description
Catalog Number:
AG000JPG
Chemical Name:
1-Cyclohexene-1-carboxaldehyde, 2-chloro-4,4-dimethyl-
CAS Number:
1228943-80-3
Molecular Formula:
C9H13ClO
Molecular Weight:
172.6519
MDL Number:
MFCD24687002
IUPAC Name:
2-chloro-4,4-dimethylcyclohexene-1-carbaldehyde
InChI:
InChI=1S/C9H13ClO/c1-9(2)4-3-7(6-11)8(10)5-9/h6H,3-5H2,1-2H3
InChI Key:
BSXRPCFOXBDGBC-UHFFFAOYSA-N
SMILES:
O=CC1=C(Cl)CC(CC1)(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.652g/mol
Monoisotopic Mass:
172.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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