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1369862-57-6 | Benzoic acid, 3-(cyclopropylmethoxy)-5-methoxy-
CAS No: 1369862-57-6 Catalog No: AG0012MS MDL No:
Product Description
Catalog Number:
AG0012MS
Chemical Name:
Benzoic acid, 3-(cyclopropylmethoxy)-5-methoxy-
CAS Number:
1369862-57-6
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
3-(cyclopropylmethoxy)-5-methoxybenzoic acid
InChI:
InChI=1S/C12H14O4/c1-15-10-4-9(12(13)14)5-11(6-10)16-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,13,14)
InChI Key:
QFAAOGXRGOXNEQ-UHFFFAOYSA-N
SMILES:
COc1cc(OCC2CC2)cc(c1)C(=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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