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6502-22-3 | 2-Iso-Propylbenzaldehyde
CAS No: 6502-22-3 Catalog No: AG0036VS MDL No:MFCD06201222
Product Description
Catalog Number:
AG0036VS
Chemical Name:
2-Iso-Propylbenzaldehyde
CAS Number:
6502-22-3
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
MDL Number:
MFCD06201222
IUPAC Name:
2-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C10H12O/c1-8(2)10-6-4-3-5-9(10)7-11/h3-8H,1-2H3
InChI Key:
DTALCVXXATYTQJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1C(C)C
EC Number:
259-433-0
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/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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