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13674-16-3 | Methyl 2-hydroxy-3-phenylpropanoate
CAS No: 13674-16-3 Catalog No: AG00384P MDL No:MFCD06654233
Product Description
Catalog Number:
AG00384P
Chemical Name:
Methyl 2-hydroxy-3-phenylpropanoate
CAS Number:
13674-16-3
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD06654233
IUPAC Name:
methyl 2-hydroxy-3-phenylpropanoate
InChI:
InChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChI Key:
NMPPJJIBQQCOOI-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1ccccc1)O
Properties
Complexity:
162
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:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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