Home Other Building Blocks 4-METHYL-1-PHENYLPENTAN-3-OL

4-METHYL-1-PHENYLPENTAN-3-OL

CAS No.:
68426-07-3
Catalog Number:
AG006JUK
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
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Product Description
Catalog Number:
AG006JUK
Chemical Name:
4-METHYL-1-PHENYLPENTAN-3-OL
CAS Number:
68426-07-3
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD11934818
IUPAC Name:
4-methyl-1-phenylpentan-3-ol
InChI:
InChI=1S/C12H18O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
InChI Key:
XMYCBALIUJOUKD-UHFFFAOYSA-N
SMILES:
OC(C(C)C)CCc1ccccc1
EC Number:
270-387-0
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties