Orcinol Monohydrate 99% For Synthesis

CAT: 1507-189600010Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1507-189600010Size:10 mg

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CAS Number

6153-39-5

HSN Code

29071190

Chemical Information

Resorcinol, 5-methyl-, monohydrate

See also: 1,3-Benzenediol, 5-methyl, monohydrate (annotation moved to); 3,5-Dihydroxy-1-methylbenzene (annotation moved to).

CAS Number	6153-39-5
PubChem CID	3083941
IUPAC Name	5-methylbenzene-1,3-diol;hydrate
Molecular Formula	C7H10O3
Molecular Weight	142.15
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	82

SMILES

CC1=CC(=CC(=C1)O)O.O

InChI

InChI=1S/C7H8O2.H2O/c1-5-2-6(8)4-7(9)3-5;/h2-4,8-9H,1H3;1H2

InChIKey

NBKPNAMTHBIMLA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6153-39-5

CID: 3083941

Formula: C7H10O3

MW: 142.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.15
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	142.062994177
Monoisotopic Mass	142.062994177
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	82.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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