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2462-32-0 | L-Phenylalanine, phenylmethyl ester, hydrochloride (1:1)
CAS No: 2462-32-0 Catalog No: AG002OTA MDL No:MFCD00043249
Product Description
Catalog Number:
AG002OTA
Chemical Name:
L-Phenylalanine, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
2462-32-0
Molecular Formula:
C16H18ClNO2
Molecular Weight:
291.7726
MDL Number:
MFCD00043249
IUPAC Name:
benzyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
InChI:
InChI=1S/C16H17NO2.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-;/m0./s1
InChI Key:
CEXFHIYDTRNBJD-RSAXXLAASA-N
SMILES:
O=C([C@H](Cc1ccccc1)N)OCc1ccccc1.Cl
EC Number:
219-558-3
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.775g/mol
Monoisotopic Mass:
291.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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