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873-30-3 | 3-Cyclohexene-1-carboxaldehyde, 2-methyl-, cis-
CAS No: 873-30-3 Catalog No: AG008E9E MDL No:
Product Description
Catalog Number:
AG008E9E
Chemical Name:
3-Cyclohexene-1-carboxaldehyde, 2-methyl-, cis-
CAS Number:
873-30-3
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
(1R,2S)-2-methylcyclohex-3-ene-1-carbaldehyde
InChI:
InChI=1S/C8H12O/c1-7-4-2-3-5-8(7)6-9/h2,4,6-8H,3,5H2,1H3/t7-,8-/m0/s1
InChI Key:
OZZQRADTCITSML-YUMQZZPRSA-N
SMILES:
O=C[C@@H]1CCC=C[C@@H]1C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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