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183623-25-8 | 3-Penten-2-ol, 1-(phenylmethoxy)-, (S)- (9CI)
CAS No: 183623-25-8 Catalog No: AG0027SA MDL No:
Product Description
Catalog Number:
AG0027SA
Chemical Name:
3-Penten-2-ol, 1-(phenylmethoxy)-, (S)- (9CI)
CAS Number:
183623-25-8
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
(2S)-1-phenylmethoxypent-3-en-2-ol
InChI:
InChI=1S/C12H16O2/c1-2-6-12(13)10-14-9-11-7-4-3-5-8-11/h2-8,12-13H,9-10H2,1H3/t12-/m0/s1
InChI Key:
VGJQTCINOXITIK-LBPRGKRZSA-N
SMILES:
CC=C[C@@H](COCc1ccccc1)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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