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17953-97-8 | Benzene, (2-ethoxypropyl)-
CAS No: 17953-97-8 Catalog No: AG00272I MDL No:
Product Description
Catalog Number:
AG00272I
Chemical Name:
Benzene, (2-ethoxypropyl)-
CAS Number:
17953-97-8
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
2-ethoxypropylbenzene
InChI:
InChI=1S/C11H16O/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChI Key:
KLGHJDHDVMDMDO-UHFFFAOYSA-N
SMILES:
CCOC(Cc1ccccc1)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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