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829-27-6 | 1,5-Pentanediol, 3-phenyl-
CAS No: 829-27-6 Catalog No: AG00549O MDL No:MFCD21606407
Product Description
Catalog Number:
AG00549O
Chemical Name:
1,5-Pentanediol, 3-phenyl-
CAS Number:
829-27-6
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD21606407
IUPAC Name:
3-phenylpentane-1,5-diol
InChI:
InChI=1S/C11H16O2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChI Key:
FCODQYLSDNRUBJ-UHFFFAOYSA-N
SMILES:
OCCC(c1ccccc1)CCO
Properties
Complexity:
113
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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