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1011-61-6 | 1,5-Pentanediol, 1-phenyl-
CAS No: 1011-61-6 Catalog No: AG0003RI MDL No:
Product Description
Catalog Number:
AG0003RI
Chemical Name:
1,5-Pentanediol, 1-phenyl-
CAS Number:
1011-61-6
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
1-phenylpentane-1,5-diol
InChI:
InChI=1S/C11H16O2/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2
InChI Key:
LURHGCQQNUAFLT-UHFFFAOYSA-N
SMILES:
OCCCCC(c1ccccc1)O
NSC Number:
98556
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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