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76382-80-4 | Benzene,(3-butoxypropyl)-
CAS No: 76382-80-4 Catalog No: AG005CC9 MDL No:
Product Description
Catalog Number:
AG005CC9
Chemical Name:
Benzene,(3-butoxypropyl)-
CAS Number:
76382-80-4
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
3-butoxypropylbenzene
InChI:
InChI=1S/C13H20O/c1-2-3-11-14-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChI Key:
HBNXEOCFROWXQQ-UHFFFAOYSA-N
SMILES:
CCCCOCCCc1ccccc1
NSC Number:
71402
Properties
Complexity:
116
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:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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