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127451-12-1 | BENZALDEHYDE, 2-METHYL-3-(1-METHYLETHENYL)-
CAS No: 127451-12-1 Catalog No: AG000X3C MDL No:MFCD18824376
Product Description
Catalog Number:
AG000X3C
Chemical Name:
BENZALDEHYDE, 2-METHYL-3-(1-METHYLETHENYL)-
CAS Number:
127451-12-1
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
MDL Number:
MFCD18824376
IUPAC Name:
2-methyl-3-prop-1-en-2-ylbenzaldehyde
InChI:
InChI=1S/C11H12O/c1-8(2)11-6-4-5-10(7-12)9(11)3/h4-7H,1H2,2-3H3
InChI Key:
QXKRUIJCDSTXHE-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1C)C(=C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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