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Home Other Building Blocks 1-Methyl-3-propylbenzene

1-Methyl-3-propylbenzene

CAS No.:
1074-43-7
Catalog Number:
AG003EHW
Molecular Formula:
C10H14
Molecular Weight:
134.2182
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$99
- +
5g
95%
In Stock USA
United States
$358
- +
10g
95%
In Stock USA
United States
$644
- +
Product Description
Catalog Number:
AG003EHW
Chemical Name:
1-Methyl-3-propylbenzene
CAS Number:
1074-43-7
Molecular Formula:
C10H14
Molecular Weight:
134.2182
MDL Number:
MFCD00059247
IUPAC Name:
1-methyl-3-propylbenzene
InChI:
InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
InChI Key:
QUEBYVKXYIKVSO-UHFFFAOYSA-N
SMILES:
CCCc1cccc(c1)C
EC Number:
214-040-3
UNII:
I0ZJ4I1KOV
NSC Number:
73974
Properties
Complexity:
86  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.11g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.222g/mol
Monoisotopic Mass:
134.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Prevalence of the alkyl/phenyl-folded conformation in benzylic compounds C6H5CH2-X-R (X=O, CH2, CO, S, SO, SO2): significance of the CH/pi interaction as evidenced by high-level ab initio MO calculations. Chemistry (Weinheim an der Bergstrasse, Germany) 20030203
Properties