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1866-03-1 | Benzaldehyde, 2-methyl-5-(1-methylethyl)- (9CI)
CAS No: 1866-03-1 Catalog No: AG00ALEW MDL No:
Product Description
Catalog Number:
AG00ALEW
Chemical Name:
Benzaldehyde, 2-methyl-5-(1-methylethyl)- (9CI)
CAS Number:
1866-03-1
IUPAC Name:
2-methyl-5-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C11H14O/c1-8(2)10-5-4-9(3)11(6-10)7-12/h4-8H,1-3H3
InChI Key:
MHYUKGZOUHPXRQ-UHFFFAOYSA-N
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
Literature
| Title | Journal |
|---|---|
| Purinergic mechanosensory transduction and visceral pain. | Molecular pain 20090101 |
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