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100511-78-2 | Benzenepropanoic acid, 4-(aminomethyl)-, methyl ester
CAS No: 100511-78-2 Catalog No: AG00027T MDL No:MFCD08060494
Product Description
Catalog Number:
AG00027T
Chemical Name:
Benzenepropanoic acid, 4-(aminomethyl)-, methyl ester
CAS Number:
100511-78-2
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD08060494
IUPAC Name:
methyl 3-[4-(aminomethyl)phenyl]propanoate
InChI:
InChI=1S/C11H15NO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-5H,6-8,12H2,1H3
InChI Key:
OQZWLJLXFNYXKR-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)CCC(=O)OC
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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