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80227-73-2 | BENZENEPROPANOL, ALPHA-1-PROPENYL-
CAS No: 80227-73-2 Catalog No: AG005CA0 MDL No:
Product Description
Catalog Number:
AG005CA0
Chemical Name:
BENZENEPROPANOL, ALPHA-1-PROPENYL-
CAS Number:
80227-73-2
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
1-phenylhex-4-en-3-ol
InChI:
InChI=1S/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-8,12-13H,9-10H2,1H3
InChI Key:
LPEOSCXPDHOVJA-UHFFFAOYSA-N
SMILES:
CC=CC(CCc1ccccc1)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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