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40663-69-2 | BENZALDEHYDE, 3-METHYL-4-(1-METHYLETHYL)-
CAS No: 40663-69-2 Catalog No: AG0075MT MDL No:
Product Description
Catalog Number:
AG0075MT
Chemical Name:
BENZALDEHYDE, 3-METHYL-4-(1-METHYLETHYL)-
CAS Number:
40663-69-2
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
3-methyl-4-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C11H14O/c1-8(2)11-5-4-10(7-12)6-9(11)3/h4-8H,1-3H3
InChI Key:
IEBBXDLHDFFUPH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C)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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