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90-87-9 | 2-PHENYLPROPIONALDEHYDE DIMETHYL ACETAL
CAS No: 90-87-9 Catalog No: AG006H6J MDL No:MFCD00008860
Product Description
Catalog Number:
AG006H6J
Chemical Name:
2-PHENYLPROPIONALDEHYDE DIMETHYL ACETAL
CAS Number:
90-87-9
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD00008860
IUPAC Name:
1,1-dimethoxypropan-2-ylbenzene
InChI:
InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3
InChI Key:
UFOUDYPOSJJEDJ-UHFFFAOYSA-N
SMILES:
COC(C(c1ccccc1)C)OC
EC Number:
202-022-8
NSC Number:
46115
FEMA Number:
2888
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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