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68844-97-3 | 3,4-Xylylacetaldehyde
CAS No: 68844-97-3 Catalog No: AG005NQJ MDL No:MFCD02261753
Product Description
Catalog Number:
AG005NQJ
Chemical Name:
3,4-Xylylacetaldehyde
CAS Number:
68844-97-3
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
MDL Number:
MFCD02261753
IUPAC Name:
2-(3,4-dimethylphenyl)acetaldehyde
InChI:
InChI=1S/C10H12O/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,6-7H,5H2,1-2H3
InChI Key:
ZEDGDXNOJMGMMM-UHFFFAOYSA-N
SMILES:
O=CCc1ccc(c(c1)C)C
EC Number:
272-445-0
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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