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Home > Aldehydes > 127451-11-0
127451-11-0 | Benzaldehyde, 2-methyl-3-(1-methylethyl)-
CAS No: 127451-11-0 Catalog No: AG000X3D MDL No:MFCD18824377
Product Description
Catalog Number:
AG000X3D
Chemical Name:
Benzaldehyde, 2-methyl-3-(1-methylethyl)-
CAS Number:
127451-11-0
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD18824377
IUPAC Name:
2-methyl-3-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C11H14O/c1-8(2)11-6-4-5-10(7-12)9(11)3/h4-8H,1-3H3
InChI Key:
ZOJKUHSSLKZYIO-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1C)C(C)C
Properties
Complexity:
151
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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