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101366-61-4 | Propanoic acid, 3-[4-(hydroxymethyl)phenoxy]-
CAS No: 101366-61-4 Catalog No: AG0004BE MDL No:MFCD00137851
Product Description
Catalog Number:
AG0004BE
Chemical Name:
Propanoic acid, 3-[4-(hydroxymethyl)phenoxy]-
CAS Number:
101366-61-4
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00137851
IUPAC Name:
3-[4-(hydroxymethyl)phenoxy]propanoic acid
InChI:
InChI=1S/C10H12O4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-4,11H,5-7H2,(H,12,13)
InChI Key:
WPWKJUVXEMKOHS-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)OCCC(=O)O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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