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4-[(2S)-2-amino-3-hydroxypropyl]phenol hydrochloride

4-[(2S)-2-amino-3-hydroxypropyl]phenol hydrochloride

CAS: 87745-27-5

Formula: C9H14ClNO2

SMILES: Cl.N[C@H](CO)CC1=CC=C(O)C=C1

IUPAC: 4-[(2S)-2-amino-3-hydroxypropyl]phenol hydrochloride

InChI: InChI=1S/C9H13NO2.ClH/c10-8(6-11)5-7-1-3-9(12)4-2-7;/h1-4,8,11-12H,5-6,10H2;1H/t8-;/m0./s1

Composition: C (53.08%), H (6.93%), Cl (17.41%), N (6.88%), O (15.71%)

Molar Mass: 203.67

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 203.0713064
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey PNGCRFWYSRUQTB-QRPNPIFTSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.23
Topological Polar Surface Area 66.48
Polarizability 18.52
Ring Count 1
Rotatable Bond Count 3

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