C1=CC=C2C(=C1)C=CC3=CC=CC=C32
CAS: 85-01-8
Name: phenanthrene
SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C32

Molecular Processing

Molecular formula
C14H10
Molecular weight
178.23
Exact mass
178.0783
XLogP
3.99
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
14
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0
Molar refractivity
61.45

Supplementary Information

InChIKey: YNPNZTXNASCQKK-UHFFFAOYSA-N
Synonyme
PHENANTHRENE85-01-8PhenanthrenPhenanthracenePhenanthrinRavatitePhenantrinDTXSID6024254NSC-26256448J8E5BST(3)HELICENEDTXCID904254CHEBI:28851NSC26256RefChem:6480201-581-5695-039-9MFCD00001168CHEMBL46730Phenanthrene-13C2Phenanthren [German]1173018-81-9CAS-85-01-8Phenanthrene, purePEYCCRIS 1233HSDB 2166EINECS 201-581-5NSC 26256UNII-448J8E5BST
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