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147598-21-8 | Benzenepropanol, 4-(2-methylpropyl)-
CAS No: 147598-21-8 Catalog No: AG001F0A MDL No:MFCD09028735
Product Description
Catalog Number:
AG001F0A
Chemical Name:
Benzenepropanol, 4-(2-methylpropyl)-
CAS Number:
147598-21-8
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
MDL Number:
MFCD09028735
IUPAC Name:
3-[4-(2-methylpropyl)phenyl]propan-1-ol
InChI:
InChI=1S/C13H20O/c1-11(2)10-13-7-5-12(6-8-13)4-3-9-14/h5-8,11,14H,3-4,9-10H2,1-2H3
InChI Key:
JFAIHGYUKITHLQ-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(cc1)CC(C)C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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