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1009-62-7 | Benzenepropanal, α,α-dimethyl-
CAS No: 1009-62-7 Catalog No: AG00034L MDL No:MFCD00015918
Product Description
Catalog Number:
AG00034L
Chemical Name:
Benzenepropanal, α,α-dimethyl-
CAS Number:
1009-62-7
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00015918
IUPAC Name:
2,2-dimethyl-3-phenylpropanal
InChI:
InChI=1S/C11H14O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key:
KYUNECWPKRYPJM-UHFFFAOYSA-N
SMILES:
O=CC(Cc1ccccc1)(C)C
EC Number:
213-771-5
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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