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895240-71-8 | Benzoic acid,3-(3-methoxypropoxy)-4-methyl-
CAS No: 895240-71-8 Catalog No: AG00407L MDL No:
Product Description
Catalog Number:
AG00407L
Chemical Name:
Benzoic acid,3-(3-methoxypropoxy)-4-methyl-
CAS Number:
895240-71-8
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
3-(3-methoxypropoxy)-4-methylbenzoic acid
InChI:
InChI=1S/C12H16O4/c1-9-4-5-10(12(13)14)8-11(9)16-7-3-6-15-2/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChI Key:
NYHDRDMFVPDTCB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1OCCCOC)C(=O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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