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97985-68-7 | Oxiranecarboxaldehyde, 3-(2-methylphenyl)-, trans-
CAS No: 97985-68-7 Catalog No: AG006AED MDL No:
Product Description
Catalog Number:
AG006AED
Chemical Name:
Oxiranecarboxaldehyde, 3-(2-methylphenyl)-, trans-
CAS Number:
97985-68-7
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
3-(2-methylphenyl)oxirane-2-carbaldehyde
InChI:
InChI=1S/C10H10O2/c1-7-4-2-3-5-8(7)10-9(6-11)12-10/h2-6,9-10H,1H3
InChI Key:
XJGODKGOWKMALE-UHFFFAOYSA-N
SMILES:
O=C[C@@H]1O[C@H]1c1ccccc1C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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