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31036-46-1 | Benzaldehyde, 2-(1-methylpropyl)-
CAS No: 31036-46-1 Catalog No: AG0031YO MDL No:MFCD18824306
Product Description
Catalog Number:
AG0031YO
Chemical Name:
Benzaldehyde, 2-(1-methylpropyl)-
CAS Number:
31036-46-1
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD18824306
IUPAC Name:
2-butan-2-ylbenzaldehyde
InChI:
InChI=1S/C11H14O/c1-3-9(2)11-7-5-4-6-10(11)8-12/h4-9H,3H2,1-2H3
InChI Key:
IXGHAHQCIKNYHY-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1C=O)C
Properties
Complexity:
142
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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