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122-74-7 | Benzenepropanol, 1-propanoate
CAS No: 122-74-7 Catalog No: AG0016K0 MDL No:
Product Description
Catalog Number:
AG0016K0
Chemical Name:
Benzenepropanol, 1-propanoate
CAS Number:
122-74-7
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
3-phenylpropyl propanoate
InChI:
InChI=1S/C12H16O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChI Key:
GTNCESCYZPMXCJ-UHFFFAOYSA-N
SMILES:
CCC(=O)OCCCc1ccccc1
EC Number:
204-571-9
UNII:
C4756E9F55
NSC Number:
6032
FEMA Number:
2897
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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