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40150-98-9 | 4-Isobutylbenzaldehyde
CAS No: 40150-98-9 Catalog No: AG003LL1 MDL No:MFCD00075760
Product Description
Catalog Number:
AG003LL1
Chemical Name:
4-Isobutylbenzaldehyde
CAS Number:
40150-98-9
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00075760
IUPAC Name:
4-(2-methylpropyl)benzaldehyde
InChI:
InChI=1S/C11H14O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,8-9H,7H2,1-2H3
InChI Key:
LXPWGAZYJHUWPM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)CC(C)C
Properties
Complexity:
132
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:
3
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