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1154383-17-1 | Benzoic acid, 4-amino-3-(cyclopropylmethoxy)-
CAS No: 1154383-17-1 Catalog No: AG000FZE MDL No:
Product Description
Catalog Number:
AG000FZE
Chemical Name:
Benzoic acid, 4-amino-3-(cyclopropylmethoxy)-
CAS Number:
1154383-17-1
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
4-amino-3-(cyclopropylmethoxy)benzoic acid
InChI:
InChI=1S/C11H13NO3/c12-9-4-3-8(11(13)14)5-10(9)15-6-7-1-2-7/h3-5,7H,1-2,6,12H2,(H,13,14)
InChI Key:
SSSCMMUPPDYTCH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)OCC1CC1)N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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