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88967-15-1 | 1,5-Cyclohexadiene-1-carboxaldehyde, 5-methyl-
CAS No: 88967-15-1 Catalog No: AG0045WK MDL No:
Product Description
Catalog Number:
AG0045WK
Chemical Name:
1,5-Cyclohexadiene-1-carboxaldehyde, 5-methyl-
CAS Number:
88967-15-1
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
IUPAC Name:
5-methylcyclohexa-1,5-diene-1-carbaldehyde
InChI:
InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h4-6H,2-3H2,1H3
InChI Key:
SSLUXZSMESSFDX-UHFFFAOYSA-N
SMILES:
CC1=CC(=CCC1)C=O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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