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5652-38-0 | 3-(Phenylamino)propanoic acid
CAS No: 5652-38-0 Catalog No: AG0033LJ MDL No:MFCD00089905
Product Description
Catalog Number:
AG0033LJ
Chemical Name:
3-(Phenylamino)propanoic acid
CAS Number:
5652-38-0
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00089905
IUPAC Name:
3-anilinopropanoic acid
InChI:
InChI=1S/C9H11NO2/c11-9(12)6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChI Key:
AQKKRXMVSOXABZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCNc1ccccc1
NSC Number:
54626
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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