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1321-75-1 | Benzoic acid, hydroxymethoxy-, ethyl ester (8CI,9CI)
CAS No: 1321-75-1 Catalog No: AG00107C MDL No:
Product Description
Catalog Number:
AG00107C
Chemical Name:
Benzoic acid, hydroxymethoxy-, ethyl ester (8CI,9CI)
CAS Number:
1321-75-1
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
ethyl 2-(hydroxymethoxy)benzoate
InChI:
InChI=1S/C10H12O4/c1-2-13-10(12)8-5-3-4-6-9(8)14-7-11/h3-6,11H,2,7H2,1H3
InChI Key:
AUYJJTVZTXEPIK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1OCO
EC Number:
215-326-0
Properties
Complexity:
181
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:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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