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13098-94-7 | Phenol, 4-methoxy-, 1-propanoate
CAS No: 13098-94-7 Catalog No: AG000V7V MDL No:
Product Description
Catalog Number:
AG000V7V
Chemical Name:
Phenol, 4-methoxy-, 1-propanoate
CAS Number:
13098-94-7
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
(4-methoxyphenyl) propanoate
InChI:
InChI=1S/C10H12O3/c1-3-10(11)13-9-6-4-8(12-2)5-7-9/h4-7H,3H2,1-2H3
InChI Key:
ZJTDCIZEZMJDEN-UHFFFAOYSA-N
SMILES:
CCC(=O)Oc1ccc(cc1)OC
NSC Number:
6014
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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